----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:48:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.228959800299713 -2.480584560000000 0.000000000000000 b 6.228959800299713 2.480584560000000 0.000000000000000 c -6.067201953917591 0.000000000000000 10.344082072313741 Atomic positions (fractional): *1 K 0.01717168540398 0.01717168540398 0.17780841651941 39.098 *2 K 0.82387131654350 0.82387131654350 0.40945820835101 39.098 3 K 0.98282831459602 0.98282831459602 0.82219158348059 39.098 4 K 0.17612868345650 0.17612868345650 0.59054179164899 39.098 *5 Na 0.70202265837253 0.70202265837253 0.86709300743025 22.990 6 Na 0.29797734162747 0.29797734162747 0.13290699256975 22.990 *7 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 *8 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 *9 P 0.66519451290132 0.66519451290132 0.09007161446361 30.974 *10 P 0.53273766809764 0.53273766809764 0.37182185049633 30.974 11 P 0.33480548709868 0.33480548709868 0.90992838553639 30.974 12 P 0.46726233190236 0.46726233190236 0.62817814950367 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.457919600599427 0.000000000000000 0.000000000000000 b 0.000000000000000 4.961169119999999 0.000000000000000 c -6.067201953917591 0.000000000000000 10.344082072313741 Atomic positions (fractional): *1 K 0.01717168540398 0.00000000000000 0.17780841651941 39.098 > 1 *2 K 0.82387131654350 0.00000000000000 0.40945820835101 39.098 > 2 3 K 0.98282831459602 0.00000000000000 0.82219158348059 39.098 > 3 4 K 0.17612868345650 0.00000000000000 0.59054179164899 39.098 > 4 5 K 0.51717168540398 0.50000000000000 0.17780841651941 39.098 > 1 6 K 0.32387131654350 0.50000000000000 0.40945820835101 39.098 > 2 7 K 0.48282831459602 0.50000000000000 0.82219158348059 39.098 > 3 8 K 0.67612868345650 0.50000000000000 0.59054179164899 39.098 > 4 *9 Na 0.20202265837253 0.50000000000000 0.86709300743025 22.990 > 5 10 Na 0.79797734162747 0.50000000000000 0.13290699256975 22.990 > 6 11 Na 0.70202265837253 0.00000000000000 0.86709300743025 22.990 > 5 12 Na 0.29797734162747 0.00000000000000 0.13290699256975 22.990 > 6 *13 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 7 *14 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 8 15 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 7 16 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 8 *17 P 0.66519451290132 0.00000000000000 0.09007161446361 30.974 > 9 *18 P 0.03273766809764 0.50000000000000 0.37182185049633 30.974 > 10 19 P 0.33480548709868 0.00000000000000 0.90992838553639 30.974 > 11 20 P 0.96726233190236 0.50000000000000 0.62817814950367 30.974 > 12 21 P 0.16519451290132 0.50000000000000 0.09007161446361 30.974 > 9 22 P 0.53273766809764 0.00000000000000 0.37182185049633 30.974 > 10 23 P 0.83480548709868 0.50000000000000 0.90992838553639 30.974 > 11 24 P 0.46726233190236 0.00000000000000 0.62817814950367 30.974 > 12 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.457919600599427 0.000000000000000 0.000000000000000 b 0.000000000000000 14.883507359999998 0.000000000000000 c -12.134403907835182 0.000000000000000 20.688164144627482 Atomic positions (fractional): *1 K 0.01717168540398 0.00000000000000 0.08890420825970 39.098 > 1 2 K 0.01717168540398 0.33333333333333 0.08890420825970 39.098 > 1 3 K 0.01717168540398 0.66666666666667 0.08890420825970 39.098 > 1 4 K 0.01717168540398 0.00000000000000 0.58890420825970 39.098 > 1 5 K 0.01717168540398 0.33333333333333 0.58890420825970 39.098 > 1 6 K 0.01717168540398 0.66666666666667 0.58890420825970 39.098 > 1 *7 K 0.82387131654350 0.00000000000000 0.20472910417550 39.098 > 2 8 K 0.82387131654350 0.33333333333333 0.20472910417550 39.098 > 2 9 K 0.82387131654350 0.66666666666667 0.20472910417550 39.098 > 2 10 K 0.82387131654350 0.00000000000000 0.70472910417550 39.098 > 2 11 K 0.82387131654350 0.33333333333333 0.70472910417550 39.098 > 2 12 K 0.82387131654350 0.66666666666667 0.70472910417550 39.098 > 2 13 K 0.98282831459602 0.00000000000000 0.41109579174030 39.098 > 3 14 K 0.98282831459602 0.33333333333333 0.41109579174030 39.098 > 3 15 K 0.98282831459602 0.66666666666667 0.41109579174030 39.098 > 3 16 K 0.98282831459602 0.00000000000000 0.91109579174030 39.098 > 3 17 K 0.98282831459602 0.33333333333333 0.91109579174030 39.098 > 3 18 K 0.98282831459602 0.66666666666667 0.91109579174030 39.098 > 3 19 K 0.17612868345650 0.00000000000000 0.29527089582450 39.098 > 4 20 K 0.17612868345650 0.33333333333333 0.29527089582450 39.098 > 4 21 K 0.17612868345650 0.66666666666667 0.29527089582450 39.098 > 4 22 K 0.17612868345650 0.00000000000000 0.79527089582450 39.098 > 4 23 K 0.17612868345650 0.33333333333333 0.79527089582450 39.098 > 4 24 K 0.17612868345650 0.66666666666667 0.79527089582450 39.098 > 4 25 K 0.51717168540398 0.16666666666667 0.08890420825970 39.098 > 1 26 K 0.51717168540398 0.50000000000000 0.08890420825970 39.098 > 1 27 K 0.51717168540398 0.83333333333333 0.08890420825970 39.098 > 1 28 K 0.51717168540398 0.16666666666667 0.58890420825970 39.098 > 1 29 K 0.51717168540398 0.50000000000000 0.58890420825970 39.098 > 1 30 K 0.51717168540398 0.83333333333333 0.58890420825970 39.098 > 1 31 K 0.32387131654350 0.16666666666667 0.20472910417550 39.098 > 2 32 K 0.32387131654350 0.50000000000000 0.20472910417550 39.098 > 2 33 K 0.32387131654350 0.83333333333333 0.20472910417550 39.098 > 2 34 K 0.32387131654350 0.16666666666667 0.70472910417550 39.098 > 2 35 K 0.32387131654350 0.50000000000000 0.70472910417550 39.098 > 2 36 K 0.32387131654350 0.83333333333333 0.70472910417550 39.098 > 2 37 K 0.48282831459602 0.16666666666667 0.41109579174030 39.098 > 3 38 K 0.48282831459602 0.50000000000000 0.41109579174030 39.098 > 3 39 K 0.48282831459602 0.83333333333333 0.41109579174030 39.098 > 3 40 K 0.48282831459602 0.16666666666667 0.91109579174030 39.098 > 3 41 K 0.48282831459602 0.50000000000000 0.91109579174030 39.098 > 3 42 K 0.48282831459602 0.83333333333333 0.91109579174030 39.098 > 3 43 K 0.67612868345650 0.16666666666667 0.29527089582450 39.098 > 4 44 K 0.67612868345650 0.50000000000000 0.29527089582450 39.098 > 4 45 K 0.67612868345650 0.83333333333333 0.29527089582450 39.098 > 4 46 K 0.67612868345650 0.16666666666667 0.79527089582450 39.098 > 4 47 K 0.67612868345650 0.50000000000000 0.79527089582450 39.098 > 4 48 K 0.67612868345650 0.83333333333333 0.79527089582450 39.098 > 4 *49 Na 0.20202265837253 0.16666666666667 0.43354650371512 22.990 > 5 50 Na 0.20202265837253 0.50000000000000 0.43354650371512 22.990 > 5 51 Na 0.20202265837253 0.83333333333333 0.43354650371512 22.990 > 5 52 Na 0.20202265837253 0.16666666666667 0.93354650371512 22.990 > 5 53 Na 0.20202265837253 0.50000000000000 0.93354650371512 22.990 > 5 54 Na 0.20202265837253 0.83333333333333 0.93354650371512 22.990 > 5 55 Na 0.79797734162747 0.16666666666667 0.06645349628488 22.990 > 6 56 Na 0.79797734162747 0.50000000000000 0.06645349628488 22.990 > 6 57 Na 0.79797734162747 0.83333333333333 0.06645349628488 22.990 > 6 58 Na 0.79797734162747 0.16666666666667 0.56645349628488 22.990 > 6 59 Na 0.79797734162747 0.50000000000000 0.56645349628488 22.990 > 6 60 Na 0.79797734162747 0.83333333333333 0.56645349628488 22.990 > 6 61 Na 0.70202265837253 0.00000000000000 0.43354650371512 22.990 > 5 62 Na 0.70202265837253 0.33333333333333 0.43354650371512 22.990 > 5 63 Na 0.70202265837253 0.66666666666667 0.43354650371512 22.990 > 5 64 Na 0.70202265837253 0.00000000000000 0.93354650371512 22.990 > 5 65 Na 0.70202265837253 0.33333333333333 0.93354650371512 22.990 > 5 66 Na 0.70202265837253 0.66666666666667 0.93354650371512 22.990 > 5 67 Na 0.29797734162747 0.00000000000000 0.06645349628488 22.990 > 6 68 Na 0.29797734162747 0.33333333333333 0.06645349628488 22.990 > 6 69 Na 0.29797734162747 0.66666666666667 0.06645349628488 22.990 > 6 70 Na 0.29797734162747 0.00000000000000 0.56645349628488 22.990 > 6 71 Na 0.29797734162747 0.33333333333333 0.56645349628488 22.990 > 6 72 Na 0.29797734162747 0.66666666666667 0.56645349628488 22.990 > 6 *73 B 0.00000000000000 0.16666666666667 0.25000000000000 10.811 > 7 74 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 7 75 B 0.00000000000000 0.83333333333333 0.25000000000000 10.811 > 7 76 B 0.00000000000000 0.16666666666667 0.75000000000000 10.811 > 7 77 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 7 78 B 0.00000000000000 0.83333333333333 0.75000000000000 10.811 > 7 *79 B 0.00000000000000 0.16666666666667 0.00000000000000 10.811 > 8 80 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 8 81 B 0.00000000000000 0.83333333333333 0.00000000000000 10.811 > 8 82 B 0.00000000000000 0.16666666666667 0.50000000000000 10.811 > 8 83 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 8 84 B 0.00000000000000 0.83333333333333 0.50000000000000 10.811 > 8 85 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 7 86 B 0.50000000000000 0.33333333333333 0.25000000000000 10.811 > 7 87 B 0.50000000000000 0.66666666666667 0.25000000000000 10.811 > 7 88 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 7 89 B 0.50000000000000 0.33333333333333 0.75000000000000 10.811 > 7 90 B 0.50000000000000 0.66666666666667 0.75000000000000 10.811 > 7 91 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 8 92 B 0.50000000000000 0.33333333333333 0.00000000000000 10.811 > 8 93 B 0.50000000000000 0.66666666666667 0.00000000000000 10.811 > 8 94 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 8 95 B 0.50000000000000 0.33333333333333 0.50000000000000 10.811 > 8 96 B 0.50000000000000 0.66666666666667 0.50000000000000 10.811 > 8 *97 P 0.66519451290132 0.00000000000000 0.04503580723181 30.974 > 9 98 P 0.66519451290132 0.33333333333333 0.04503580723181 30.974 > 9 99 P 0.66519451290132 0.66666666666667 0.04503580723181 30.974 > 9 100 P 0.66519451290132 0.00000000000000 0.54503580723181 30.974 > 9 101 P 0.66519451290132 0.33333333333333 0.54503580723181 30.974 > 9 102 P 0.66519451290132 0.66666666666667 0.54503580723181 30.974 > 9 *103 P 0.03273766809764 0.16666666666667 0.18591092524817 30.974 > 10 104 P 0.03273766809764 0.50000000000000 0.18591092524817 30.974 > 10 105 P 0.03273766809764 0.83333333333333 0.18591092524817 30.974 > 10 106 P 0.03273766809764 0.16666666666667 0.68591092524817 30.974 > 10 107 P 0.03273766809764 0.50000000000000 0.68591092524817 30.974 > 10 108 P 0.03273766809764 0.83333333333333 0.68591092524817 30.974 > 10 109 P 0.33480548709868 0.00000000000000 0.45496419276819 30.974 > 11 110 P 0.33480548709868 0.33333333333333 0.45496419276819 30.974 > 11 111 P 0.33480548709868 0.66666666666667 0.45496419276819 30.974 > 11 112 P 0.33480548709868 0.00000000000000 0.95496419276819 30.974 > 11 113 P 0.33480548709868 0.33333333333333 0.95496419276819 30.974 > 11 114 P 0.33480548709868 0.66666666666667 0.95496419276819 30.974 > 11 115 P 0.96726233190236 0.16666666666667 0.31408907475183 30.974 > 12 116 P 0.96726233190236 0.50000000000000 0.31408907475183 30.974 > 12 117 P 0.96726233190236 0.83333333333333 0.31408907475183 30.974 > 12 118 P 0.96726233190236 0.16666666666667 0.81408907475183 30.974 > 12 119 P 0.96726233190236 0.50000000000000 0.81408907475183 30.974 > 12 120 P 0.96726233190236 0.83333333333333 0.81408907475183 30.974 > 12 121 P 0.16519451290132 0.16666666666667 0.04503580723181 30.974 > 9 122 P 0.16519451290132 0.50000000000000 0.04503580723181 30.974 > 9 123 P 0.16519451290132 0.83333333333333 0.04503580723181 30.974 > 9 124 P 0.16519451290132 0.16666666666667 0.54503580723181 30.974 > 9 125 P 0.16519451290132 0.50000000000000 0.54503580723181 30.974 > 9 126 P 0.16519451290132 0.83333333333333 0.54503580723181 30.974 > 9 127 P 0.53273766809764 0.00000000000000 0.18591092524817 30.974 > 10 128 P 0.53273766809764 0.33333333333333 0.18591092524817 30.974 > 10 129 P 0.53273766809764 0.66666666666667 0.18591092524817 30.974 > 10 130 P 0.53273766809764 0.00000000000000 0.68591092524817 30.974 > 10 131 P 0.53273766809764 0.33333333333333 0.68591092524817 30.974 > 10 132 P 0.53273766809764 0.66666666666667 0.68591092524817 30.974 > 10 133 P 0.83480548709868 0.16666666666667 0.45496419276819 30.974 > 11 134 P 0.83480548709868 0.50000000000000 0.45496419276819 30.974 > 11 135 P 0.83480548709868 0.83333333333333 0.45496419276819 30.974 > 11 136 P 0.83480548709868 0.16666666666667 0.95496419276819 30.974 > 11 137 P 0.83480548709868 0.50000000000000 0.95496419276819 30.974 > 11 138 P 0.83480548709868 0.83333333333333 0.95496419276819 30.974 > 11 139 P 0.46726233190236 0.00000000000000 0.31408907475183 30.974 > 12 140 P 0.46726233190236 0.33333333333333 0.31408907475183 30.974 > 12 141 P 0.46726233190236 0.66666666666667 0.31408907475183 30.974 > 12 142 P 0.46726233190236 0.00000000000000 0.81408907475183 30.974 > 12 143 P 0.46726233190236 0.33333333333333 0.81408907475183 30.974 > 12 144 P 0.46726233190236 0.66666666666667 0.81408907475183 30.974 > 12 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1908219 0.0000000 0.0132194 0.0000000 3.8690863 0.0000000 0.0132310 0.0000000 4.7498175 -------------------------- Born effective charges -------------------------- 1 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 2 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 3 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 4 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 5 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 6 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 7 B 0.5835159 0.0000000 -1.8432292 0.0000000 -0.8446553 0.0000000 -2.3846095 0.0000000 1.7340309 8 B 2.6225007 0.0000000 2.4455270 0.0000000 -0.9897872 0.0000000 1.9343780 0.0000000 0.3884317 9 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 10 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 11 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 12 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 9108/9108 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2172 Number of blocks in projector: 2172 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2172, 2138), data: False |-- (284, 284), data: True |-- (284, 284), data: True |-- (340, 333), data: True |-- (340, 333), data: True |-- (340, 333), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 22), data: (584, 35) @ (35, 22) |-- (84, 75), data: True |-- (250, 237), data: True |-- (250, 237), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 400 - Time: 0.778 Solver_block: 200 / 400 - Time: 0.707 Solver_block: 300 / 400 - Time: 0.711 Solver_block: 400 / 400 - Time: 0.700 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 2.974 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zx) 0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 9108/9108 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2172 Number of blocks in projector: 2172 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 584 Use submatrix version of eigh solver. (1) Block: 584 / 584 (2) Block: 250 / 584 (2) 237 eigenvectors found. (2) Block: 500 / 584 (2) 237 eigenvectors found. (2) Block: 584 / 584 (2) 75 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 571 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 340 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 284 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 284 Use standard eigh solver. Tree of FC basis block matrices: - (2172, 2138), data: False |-- (284, 284), data: True |-- (284, 284), data: True |-- (340, 333), data: True |-- (340, 333), data: True |-- (340, 333), data: True |-- (584, 571), data: False |-- (584, 571), data: False |-- (584, 22), data: (584, 35) @ (35, 22) |-- (84, 75), data: True |-- (250, 237), data: True |-- (250, 237), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zx) 0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:48:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:48:59]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.228959800299713 -2.480584560000000 0.000000000000000 b 6.228959800299713 2.480584560000000 0.000000000000000 c -6.067201953917591 0.000000000000000 10.344082072313741 Atomic positions (fractional): 1 K 0.01717168540398 0.01717168540398 0.17780841651941 39.098 2 K 0.82387131654350 0.82387131654350 0.40945820835101 39.098 3 K 0.98282831459602 0.98282831459602 0.82219158348059 39.098 4 K 0.17612868345650 0.17612868345650 0.59054179164899 39.098 5 Na 0.70202265837253 0.70202265837253 0.86709300743025 22.990 6 Na 0.29797734162747 0.29797734162747 0.13290699256975 22.990 7 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 8 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 9 P 0.66519451290132 0.66519451290132 0.09007161446361 30.974 10 P 0.53273766809764 0.53273766809764 0.37182185049633 30.974 11 P 0.33480548709868 0.33480548709868 0.90992838553639 30.974 12 P 0.46726233190236 0.46726233190236 0.62817814950367 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.457919600599427 0.000000000000000 0.000000000000000 b 0.000000000000000 14.883507359999998 0.000000000000000 c -12.134403907835182 0.000000000000000 20.688164144627482 Atomic positions (fractional): 1 K 0.01717168540398 0.00000000000000 0.08890420825970 39.098 > 1 2 K 0.01717168540398 0.33333333333333 0.08890420825970 39.098 > 1 3 K 0.01717168540398 0.66666666666667 0.08890420825970 39.098 > 1 4 K 0.01717168540398 0.00000000000000 0.58890420825970 39.098 > 1 5 K 0.01717168540398 0.33333333333333 0.58890420825970 39.098 > 1 6 K 0.01717168540398 0.66666666666667 0.58890420825970 39.098 > 1 7 K 0.82387131654350 0.00000000000000 0.20472910417550 39.098 > 7 8 K 0.82387131654350 0.33333333333333 0.20472910417550 39.098 > 7 9 K 0.82387131654350 0.66666666666667 0.20472910417550 39.098 > 7 10 K 0.82387131654350 0.00000000000000 0.70472910417550 39.098 > 7 11 K 0.82387131654350 0.33333333333333 0.70472910417550 39.098 > 7 12 K 0.82387131654350 0.66666666666667 0.70472910417550 39.098 > 7 13 K 0.98282831459602 0.00000000000000 0.41109579174030 39.098 > 13 14 K 0.98282831459602 0.33333333333333 0.41109579174030 39.098 > 13 15 K 0.98282831459602 0.66666666666667 0.41109579174030 39.098 > 13 16 K 0.98282831459602 0.00000000000000 0.91109579174030 39.098 > 13 17 K 0.98282831459602 0.33333333333333 0.91109579174030 39.098 > 13 18 K 0.98282831459602 0.66666666666667 0.91109579174030 39.098 > 13 19 K 0.17612868345650 0.00000000000000 0.29527089582450 39.098 > 19 20 K 0.17612868345650 0.33333333333333 0.29527089582450 39.098 > 19 21 K 0.17612868345650 0.66666666666667 0.29527089582450 39.098 > 19 22 K 0.17612868345650 0.00000000000000 0.79527089582450 39.098 > 19 23 K 0.17612868345650 0.33333333333333 0.79527089582450 39.098 > 19 24 K 0.17612868345650 0.66666666666667 0.79527089582450 39.098 > 19 25 K 0.51717168540398 0.16666666666667 0.08890420825970 39.098 > 1 26 K 0.51717168540398 0.50000000000000 0.08890420825970 39.098 > 1 27 K 0.51717168540398 0.83333333333333 0.08890420825970 39.098 > 1 28 K 0.51717168540398 0.16666666666667 0.58890420825970 39.098 > 1 29 K 0.51717168540398 0.50000000000000 0.58890420825970 39.098 > 1 30 K 0.51717168540398 0.83333333333333 0.58890420825970 39.098 > 1 31 K 0.32387131654350 0.16666666666667 0.20472910417550 39.098 > 7 32 K 0.32387131654350 0.50000000000000 0.20472910417550 39.098 > 7 33 K 0.32387131654350 0.83333333333333 0.20472910417550 39.098 > 7 34 K 0.32387131654350 0.16666666666667 0.70472910417550 39.098 > 7 35 K 0.32387131654350 0.50000000000000 0.70472910417550 39.098 > 7 36 K 0.32387131654350 0.83333333333333 0.70472910417550 39.098 > 7 37 K 0.48282831459602 0.16666666666667 0.41109579174030 39.098 > 13 38 K 0.48282831459602 0.50000000000000 0.41109579174030 39.098 > 13 39 K 0.48282831459602 0.83333333333333 0.41109579174030 39.098 > 13 40 K 0.48282831459602 0.16666666666667 0.91109579174030 39.098 > 13 41 K 0.48282831459602 0.50000000000000 0.91109579174030 39.098 > 13 42 K 0.48282831459602 0.83333333333333 0.91109579174030 39.098 > 13 43 K 0.67612868345650 0.16666666666667 0.29527089582450 39.098 > 19 44 K 0.67612868345650 0.50000000000000 0.29527089582450 39.098 > 19 45 K 0.67612868345650 0.83333333333333 0.29527089582450 39.098 > 19 46 K 0.67612868345650 0.16666666666667 0.79527089582450 39.098 > 19 47 K 0.67612868345650 0.50000000000000 0.79527089582450 39.098 > 19 48 K 0.67612868345650 0.83333333333333 0.79527089582450 39.098 > 19 49 Na 0.20202265837253 0.16666666666667 0.43354650371512 22.990 > 49 50 Na 0.20202265837253 0.50000000000000 0.43354650371512 22.990 > 49 51 Na 0.20202265837253 0.83333333333333 0.43354650371512 22.990 > 49 52 Na 0.20202265837253 0.16666666666667 0.93354650371512 22.990 > 49 53 Na 0.20202265837253 0.50000000000000 0.93354650371512 22.990 > 49 54 Na 0.20202265837253 0.83333333333333 0.93354650371512 22.990 > 49 55 Na 0.79797734162747 0.16666666666667 0.06645349628488 22.990 > 55 56 Na 0.79797734162747 0.50000000000000 0.06645349628488 22.990 > 55 57 Na 0.79797734162747 0.83333333333333 0.06645349628488 22.990 > 55 58 Na 0.79797734162747 0.16666666666667 0.56645349628488 22.990 > 55 59 Na 0.79797734162747 0.50000000000000 0.56645349628488 22.990 > 55 60 Na 0.79797734162747 0.83333333333333 0.56645349628488 22.990 > 55 61 Na 0.70202265837253 0.00000000000000 0.43354650371512 22.990 > 49 62 Na 0.70202265837253 0.33333333333333 0.43354650371512 22.990 > 49 63 Na 0.70202265837253 0.66666666666667 0.43354650371512 22.990 > 49 64 Na 0.70202265837253 0.00000000000000 0.93354650371512 22.990 > 49 65 Na 0.70202265837253 0.33333333333333 0.93354650371512 22.990 > 49 66 Na 0.70202265837253 0.66666666666667 0.93354650371512 22.990 > 49 67 Na 0.29797734162747 0.00000000000000 0.06645349628488 22.990 > 55 68 Na 0.29797734162747 0.33333333333333 0.06645349628488 22.990 > 55 69 Na 0.29797734162747 0.66666666666667 0.06645349628488 22.990 > 55 70 Na 0.29797734162747 0.00000000000000 0.56645349628488 22.990 > 55 71 Na 0.29797734162747 0.33333333333333 0.56645349628488 22.990 > 55 72 Na 0.29797734162747 0.66666666666667 0.56645349628488 22.990 > 55 73 B 0.00000000000000 0.16666666666667 0.25000000000000 10.811 > 73 74 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 73 75 B 0.00000000000000 0.83333333333333 0.25000000000000 10.811 > 73 76 B 0.00000000000000 0.16666666666667 0.75000000000000 10.811 > 73 77 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 73 78 B 0.00000000000000 0.83333333333333 0.75000000000000 10.811 > 73 79 B 0.00000000000000 0.16666666666667 0.00000000000000 10.811 > 79 80 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 79 81 B 0.00000000000000 0.83333333333333 0.00000000000000 10.811 > 79 82 B 0.00000000000000 0.16666666666667 0.50000000000000 10.811 > 79 83 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 79 84 B 0.00000000000000 0.83333333333333 0.50000000000000 10.811 > 79 85 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 73 86 B 0.50000000000000 0.33333333333333 0.25000000000000 10.811 > 73 87 B 0.50000000000000 0.66666666666667 0.25000000000000 10.811 > 73 88 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 73 89 B 0.50000000000000 0.33333333333333 0.75000000000000 10.811 > 73 90 B 0.50000000000000 0.66666666666667 0.75000000000000 10.811 > 73 91 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 79 92 B 0.50000000000000 0.33333333333333 0.00000000000000 10.811 > 79 93 B 0.50000000000000 0.66666666666667 0.00000000000000 10.811 > 79 94 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 79 95 B 0.50000000000000 0.33333333333333 0.50000000000000 10.811 > 79 96 B 0.50000000000000 0.66666666666667 0.50000000000000 10.811 > 79 97 P 0.66519451290132 0.00000000000000 0.04503580723181 30.974 > 97 98 P 0.66519451290132 0.33333333333333 0.04503580723181 30.974 > 97 99 P 0.66519451290132 0.66666666666667 0.04503580723181 30.974 > 97 100 P 0.66519451290132 0.00000000000000 0.54503580723181 30.974 > 97 101 P 0.66519451290132 0.33333333333333 0.54503580723181 30.974 > 97 102 P 0.66519451290132 0.66666666666667 0.54503580723181 30.974 > 97 103 P 0.03273766809764 0.16666666666667 0.18591092524817 30.974 > 103 104 P 0.03273766809764 0.50000000000000 0.18591092524817 30.974 > 103 105 P 0.03273766809764 0.83333333333333 0.18591092524817 30.974 > 103 106 P 0.03273766809764 0.16666666666667 0.68591092524817 30.974 > 103 107 P 0.03273766809764 0.50000000000000 0.68591092524817 30.974 > 103 108 P 0.03273766809764 0.83333333333333 0.68591092524817 30.974 > 103 109 P 0.33480548709868 0.00000000000000 0.45496419276819 30.974 > 109 110 P 0.33480548709868 0.33333333333333 0.45496419276819 30.974 > 109 111 P 0.33480548709868 0.66666666666667 0.45496419276819 30.974 > 109 112 P 0.33480548709868 0.00000000000000 0.95496419276819 30.974 > 109 113 P 0.33480548709868 0.33333333333333 0.95496419276819 30.974 > 109 114 P 0.33480548709868 0.66666666666667 0.95496419276819 30.974 > 109 115 P 0.96726233190236 0.16666666666667 0.31408907475183 30.974 > 115 116 P 0.96726233190236 0.50000000000000 0.31408907475183 30.974 > 115 117 P 0.96726233190236 0.83333333333333 0.31408907475183 30.974 > 115 118 P 0.96726233190236 0.16666666666667 0.81408907475183 30.974 > 115 119 P 0.96726233190236 0.50000000000000 0.81408907475183 30.974 > 115 120 P 0.96726233190236 0.83333333333333 0.81408907475183 30.974 > 115 121 P 0.16519451290132 0.16666666666667 0.04503580723181 30.974 > 97 122 P 0.16519451290132 0.50000000000000 0.04503580723181 30.974 > 97 123 P 0.16519451290132 0.83333333333333 0.04503580723181 30.974 > 97 124 P 0.16519451290132 0.16666666666667 0.54503580723181 30.974 > 97 125 P 0.16519451290132 0.50000000000000 0.54503580723181 30.974 > 97 126 P 0.16519451290132 0.83333333333333 0.54503580723181 30.974 > 97 127 P 0.53273766809764 0.00000000000000 0.18591092524817 30.974 > 103 128 P 0.53273766809764 0.33333333333333 0.18591092524817 30.974 > 103 129 P 0.53273766809764 0.66666666666667 0.18591092524817 30.974 > 103 130 P 0.53273766809764 0.00000000000000 0.68591092524817 30.974 > 103 131 P 0.53273766809764 0.33333333333333 0.68591092524817 30.974 > 103 132 P 0.53273766809764 0.66666666666667 0.68591092524817 30.974 > 103 133 P 0.83480548709868 0.16666666666667 0.45496419276819 30.974 > 109 134 P 0.83480548709868 0.50000000000000 0.45496419276819 30.974 > 109 135 P 0.83480548709868 0.83333333333333 0.45496419276819 30.974 > 109 136 P 0.83480548709868 0.16666666666667 0.95496419276819 30.974 > 109 137 P 0.83480548709868 0.50000000000000 0.95496419276819 30.974 > 109 138 P 0.83480548709868 0.83333333333333 0.95496419276819 30.974 > 109 139 P 0.46726233190236 0.00000000000000 0.31408907475183 30.974 > 115 140 P 0.46726233190236 0.33333333333333 0.31408907475183 30.974 > 115 141 P 0.46726233190236 0.66666666666667 0.31408907475183 30.974 > 115 142 P 0.46726233190236 0.00000000000000 0.81408907475183 30.974 > 115 143 P 0.46726233190236 0.33333333333333 0.81408907475183 30.974 > 115 144 P 0.46726233190236 0.66666666666667 0.81408907475183 30.974 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.1908219 0.0000000 0.0132194 0.0000000 3.8690863 0.0000000 0.0132310 0.0000000 4.7498175 -------------------------- Born effective charges -------------------------- 1 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 2 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 3 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 4 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 5 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 6 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 7 B 0.5835159 0.0000000 -1.8432292 0.0000000 -0.8446553 0.0000000 -2.3846095 0.0000000 1.7340309 8 B 2.6225007 0.0000000 2.4455270 0.0000000 -0.9897872 0.0000000 1.9343780 0.0000000 0.3884317 9 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 10 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 11 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 12 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 79, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Computing fc3[ 103, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0051 0.0000 0.0086] [ 0.0051 0.0000 -0.0086] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:49:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:49:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 3 2] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/m (12) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.228959800299713 -2.480584560000000 0.000000000000000 b 6.228959800299713 2.480584560000000 0.000000000000000 c -6.067201953917591 0.000000000000000 10.344082072313741 Atomic positions (fractional): 1 K 0.01717168540398 0.01717168540398 0.17780841651941 39.098 2 K 0.82387131654350 0.82387131654350 0.40945820835101 39.098 3 K 0.98282831459602 0.98282831459602 0.82219158348059 39.098 4 K 0.17612868345650 0.17612868345650 0.59054179164899 39.098 5 Na 0.70202265837253 0.70202265837253 0.86709300743025 22.990 6 Na 0.29797734162747 0.29797734162747 0.13290699256975 22.990 7 B 0.50000000000000 0.50000000000000 0.50000000000000 10.811 8 B 0.50000000000000 0.50000000000000 0.00000000000000 10.811 9 P 0.66519451290132 0.66519451290132 0.09007161446361 30.974 10 P 0.53273766809764 0.53273766809764 0.37182185049633 30.974 11 P 0.33480548709868 0.33480548709868 0.90992838553639 30.974 12 P 0.46726233190236 0.46726233190236 0.62817814950367 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.457919600599427 0.000000000000000 0.000000000000000 b 0.000000000000000 14.883507359999998 0.000000000000000 c -12.134403907835182 0.000000000000000 20.688164144627482 Atomic positions (fractional): 1 K 0.01717168540398 0.00000000000000 0.08890420825970 39.098 > 1 2 K 0.01717168540398 0.33333333333333 0.08890420825970 39.098 > 1 3 K 0.01717168540398 0.66666666666667 0.08890420825970 39.098 > 1 4 K 0.01717168540398 0.00000000000000 0.58890420825970 39.098 > 1 5 K 0.01717168540398 0.33333333333333 0.58890420825970 39.098 > 1 6 K 0.01717168540398 0.66666666666667 0.58890420825970 39.098 > 1 7 K 0.82387131654350 0.00000000000000 0.20472910417550 39.098 > 7 8 K 0.82387131654350 0.33333333333333 0.20472910417550 39.098 > 7 9 K 0.82387131654350 0.66666666666667 0.20472910417550 39.098 > 7 10 K 0.82387131654350 0.00000000000000 0.70472910417550 39.098 > 7 11 K 0.82387131654350 0.33333333333333 0.70472910417550 39.098 > 7 12 K 0.82387131654350 0.66666666666667 0.70472910417550 39.098 > 7 13 K 0.98282831459602 0.00000000000000 0.41109579174030 39.098 > 13 14 K 0.98282831459602 0.33333333333333 0.41109579174030 39.098 > 13 15 K 0.98282831459602 0.66666666666667 0.41109579174030 39.098 > 13 16 K 0.98282831459602 0.00000000000000 0.91109579174030 39.098 > 13 17 K 0.98282831459602 0.33333333333333 0.91109579174030 39.098 > 13 18 K 0.98282831459602 0.66666666666667 0.91109579174030 39.098 > 13 19 K 0.17612868345650 0.00000000000000 0.29527089582450 39.098 > 19 20 K 0.17612868345650 0.33333333333333 0.29527089582450 39.098 > 19 21 K 0.17612868345650 0.66666666666667 0.29527089582450 39.098 > 19 22 K 0.17612868345650 0.00000000000000 0.79527089582450 39.098 > 19 23 K 0.17612868345650 0.33333333333333 0.79527089582450 39.098 > 19 24 K 0.17612868345650 0.66666666666667 0.79527089582450 39.098 > 19 25 K 0.51717168540398 0.16666666666667 0.08890420825970 39.098 > 1 26 K 0.51717168540398 0.50000000000000 0.08890420825970 39.098 > 1 27 K 0.51717168540398 0.83333333333333 0.08890420825970 39.098 > 1 28 K 0.51717168540398 0.16666666666667 0.58890420825970 39.098 > 1 29 K 0.51717168540398 0.50000000000000 0.58890420825970 39.098 > 1 30 K 0.51717168540398 0.83333333333333 0.58890420825970 39.098 > 1 31 K 0.32387131654350 0.16666666666667 0.20472910417550 39.098 > 7 32 K 0.32387131654350 0.50000000000000 0.20472910417550 39.098 > 7 33 K 0.32387131654350 0.83333333333333 0.20472910417550 39.098 > 7 34 K 0.32387131654350 0.16666666666667 0.70472910417550 39.098 > 7 35 K 0.32387131654350 0.50000000000000 0.70472910417550 39.098 > 7 36 K 0.32387131654350 0.83333333333333 0.70472910417550 39.098 > 7 37 K 0.48282831459602 0.16666666666667 0.41109579174030 39.098 > 13 38 K 0.48282831459602 0.50000000000000 0.41109579174030 39.098 > 13 39 K 0.48282831459602 0.83333333333333 0.41109579174030 39.098 > 13 40 K 0.48282831459602 0.16666666666667 0.91109579174030 39.098 > 13 41 K 0.48282831459602 0.50000000000000 0.91109579174030 39.098 > 13 42 K 0.48282831459602 0.83333333333333 0.91109579174030 39.098 > 13 43 K 0.67612868345650 0.16666666666667 0.29527089582450 39.098 > 19 44 K 0.67612868345650 0.50000000000000 0.29527089582450 39.098 > 19 45 K 0.67612868345650 0.83333333333333 0.29527089582450 39.098 > 19 46 K 0.67612868345650 0.16666666666667 0.79527089582450 39.098 > 19 47 K 0.67612868345650 0.50000000000000 0.79527089582450 39.098 > 19 48 K 0.67612868345650 0.83333333333333 0.79527089582450 39.098 > 19 49 Na 0.20202265837253 0.16666666666667 0.43354650371512 22.990 > 49 50 Na 0.20202265837253 0.50000000000000 0.43354650371512 22.990 > 49 51 Na 0.20202265837253 0.83333333333333 0.43354650371512 22.990 > 49 52 Na 0.20202265837253 0.16666666666667 0.93354650371512 22.990 > 49 53 Na 0.20202265837253 0.50000000000000 0.93354650371512 22.990 > 49 54 Na 0.20202265837253 0.83333333333333 0.93354650371512 22.990 > 49 55 Na 0.79797734162747 0.16666666666667 0.06645349628488 22.990 > 55 56 Na 0.79797734162747 0.50000000000000 0.06645349628488 22.990 > 55 57 Na 0.79797734162747 0.83333333333333 0.06645349628488 22.990 > 55 58 Na 0.79797734162747 0.16666666666667 0.56645349628488 22.990 > 55 59 Na 0.79797734162747 0.50000000000000 0.56645349628488 22.990 > 55 60 Na 0.79797734162747 0.83333333333333 0.56645349628488 22.990 > 55 61 Na 0.70202265837253 0.00000000000000 0.43354650371512 22.990 > 49 62 Na 0.70202265837253 0.33333333333333 0.43354650371512 22.990 > 49 63 Na 0.70202265837253 0.66666666666667 0.43354650371512 22.990 > 49 64 Na 0.70202265837253 0.00000000000000 0.93354650371512 22.990 > 49 65 Na 0.70202265837253 0.33333333333333 0.93354650371512 22.990 > 49 66 Na 0.70202265837253 0.66666666666667 0.93354650371512 22.990 > 49 67 Na 0.29797734162747 0.00000000000000 0.06645349628488 22.990 > 55 68 Na 0.29797734162747 0.33333333333333 0.06645349628488 22.990 > 55 69 Na 0.29797734162747 0.66666666666667 0.06645349628488 22.990 > 55 70 Na 0.29797734162747 0.00000000000000 0.56645349628488 22.990 > 55 71 Na 0.29797734162747 0.33333333333333 0.56645349628488 22.990 > 55 72 Na 0.29797734162747 0.66666666666667 0.56645349628488 22.990 > 55 73 B 0.00000000000000 0.16666666666667 0.25000000000000 10.811 > 73 74 B 0.00000000000000 0.50000000000000 0.25000000000000 10.811 > 73 75 B 0.00000000000000 0.83333333333333 0.25000000000000 10.811 > 73 76 B 0.00000000000000 0.16666666666667 0.75000000000000 10.811 > 73 77 B 0.00000000000000 0.50000000000000 0.75000000000000 10.811 > 73 78 B 0.00000000000000 0.83333333333333 0.75000000000000 10.811 > 73 79 B 0.00000000000000 0.16666666666667 0.00000000000000 10.811 > 79 80 B 0.00000000000000 0.50000000000000 0.00000000000000 10.811 > 79 81 B 0.00000000000000 0.83333333333333 0.00000000000000 10.811 > 79 82 B 0.00000000000000 0.16666666666667 0.50000000000000 10.811 > 79 83 B 0.00000000000000 0.50000000000000 0.50000000000000 10.811 > 79 84 B 0.00000000000000 0.83333333333333 0.50000000000000 10.811 > 79 85 B 0.50000000000000 0.00000000000000 0.25000000000000 10.811 > 73 86 B 0.50000000000000 0.33333333333333 0.25000000000000 10.811 > 73 87 B 0.50000000000000 0.66666666666667 0.25000000000000 10.811 > 73 88 B 0.50000000000000 0.00000000000000 0.75000000000000 10.811 > 73 89 B 0.50000000000000 0.33333333333333 0.75000000000000 10.811 > 73 90 B 0.50000000000000 0.66666666666667 0.75000000000000 10.811 > 73 91 B 0.50000000000000 0.00000000000000 0.00000000000000 10.811 > 79 92 B 0.50000000000000 0.33333333333333 0.00000000000000 10.811 > 79 93 B 0.50000000000000 0.66666666666667 0.00000000000000 10.811 > 79 94 B 0.50000000000000 0.00000000000000 0.50000000000000 10.811 > 79 95 B 0.50000000000000 0.33333333333333 0.50000000000000 10.811 > 79 96 B 0.50000000000000 0.66666666666667 0.50000000000000 10.811 > 79 97 P 0.66519451290132 0.00000000000000 0.04503580723181 30.974 > 97 98 P 0.66519451290132 0.33333333333333 0.04503580723181 30.974 > 97 99 P 0.66519451290132 0.66666666666667 0.04503580723181 30.974 > 97 100 P 0.66519451290132 0.00000000000000 0.54503580723181 30.974 > 97 101 P 0.66519451290132 0.33333333333333 0.54503580723181 30.974 > 97 102 P 0.66519451290132 0.66666666666667 0.54503580723181 30.974 > 97 103 P 0.03273766809764 0.16666666666667 0.18591092524817 30.974 > 103 104 P 0.03273766809764 0.50000000000000 0.18591092524817 30.974 > 103 105 P 0.03273766809764 0.83333333333333 0.18591092524817 30.974 > 103 106 P 0.03273766809764 0.16666666666667 0.68591092524817 30.974 > 103 107 P 0.03273766809764 0.50000000000000 0.68591092524817 30.974 > 103 108 P 0.03273766809764 0.83333333333333 0.68591092524817 30.974 > 103 109 P 0.33480548709868 0.00000000000000 0.45496419276819 30.974 > 109 110 P 0.33480548709868 0.33333333333333 0.45496419276819 30.974 > 109 111 P 0.33480548709868 0.66666666666667 0.45496419276819 30.974 > 109 112 P 0.33480548709868 0.00000000000000 0.95496419276819 30.974 > 109 113 P 0.33480548709868 0.33333333333333 0.95496419276819 30.974 > 109 114 P 0.33480548709868 0.66666666666667 0.95496419276819 30.974 > 109 115 P 0.96726233190236 0.16666666666667 0.31408907475183 30.974 > 115 116 P 0.96726233190236 0.50000000000000 0.31408907475183 30.974 > 115 117 P 0.96726233190236 0.83333333333333 0.31408907475183 30.974 > 115 118 P 0.96726233190236 0.16666666666667 0.81408907475183 30.974 > 115 119 P 0.96726233190236 0.50000000000000 0.81408907475183 30.974 > 115 120 P 0.96726233190236 0.83333333333333 0.81408907475183 30.974 > 115 121 P 0.16519451290132 0.16666666666667 0.04503580723181 30.974 > 97 122 P 0.16519451290132 0.50000000000000 0.04503580723181 30.974 > 97 123 P 0.16519451290132 0.83333333333333 0.04503580723181 30.974 > 97 124 P 0.16519451290132 0.16666666666667 0.54503580723181 30.974 > 97 125 P 0.16519451290132 0.50000000000000 0.54503580723181 30.974 > 97 126 P 0.16519451290132 0.83333333333333 0.54503580723181 30.974 > 97 127 P 0.53273766809764 0.00000000000000 0.18591092524817 30.974 > 103 128 P 0.53273766809764 0.33333333333333 0.18591092524817 30.974 > 103 129 P 0.53273766809764 0.66666666666667 0.18591092524817 30.974 > 103 130 P 0.53273766809764 0.00000000000000 0.68591092524817 30.974 > 103 131 P 0.53273766809764 0.33333333333333 0.68591092524817 30.974 > 103 132 P 0.53273766809764 0.66666666666667 0.68591092524817 30.974 > 103 133 P 0.83480548709868 0.16666666666667 0.45496419276819 30.974 > 109 134 P 0.83480548709868 0.50000000000000 0.45496419276819 30.974 > 109 135 P 0.83480548709868 0.83333333333333 0.45496419276819 30.974 > 109 136 P 0.83480548709868 0.16666666666667 0.95496419276819 30.974 > 109 137 P 0.83480548709868 0.50000000000000 0.95496419276819 30.974 > 109 138 P 0.83480548709868 0.83333333333333 0.95496419276819 30.974 > 109 139 P 0.46726233190236 0.00000000000000 0.31408907475183 30.974 > 115 140 P 0.46726233190236 0.33333333333333 0.31408907475183 30.974 > 115 141 P 0.46726233190236 0.66666666666667 0.31408907475183 30.974 > 115 142 P 0.46726233190236 0.00000000000000 0.81408907475183 30.974 > 115 143 P 0.46726233190236 0.33333333333333 0.81408907475183 30.974 > 115 144 P 0.46726233190236 0.66666666666667 0.81408907475183 30.974 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.1908219 0.0000000 0.0132194 0.0000000 3.8690863 0.0000000 0.0132310 0.0000000 4.7498175 -------------------------- Born effective charges -------------------------- 1 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 2 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 3 K 1.0100657 0.0000000 -0.2916500 0.0000000 1.3357225 0.0000000 -0.2121719 0.0000000 1.2313714 4 K 1.1089096 0.0000000 0.3987788 0.0000000 1.0628455 0.0000000 0.0577895 0.0000000 0.8955825 5 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 6 Na 1.1423854 0.0000000 -0.1913934 0.0000000 0.9900229 0.0000000 0.2719820 0.0000000 1.0512806 7 B 0.5835159 0.0000000 -1.8432292 0.0000000 -0.8446553 0.0000000 -2.3846095 0.0000000 1.7340309 8 B 2.6225007 0.0000000 2.4455270 0.0000000 -0.9897872 0.0000000 1.9343780 0.0000000 0.3884317 9 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 10 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 11 P -2.9469802 0.0000000 -0.8508867 0.0000000 -1.2431513 0.0000000 -0.9845626 0.0000000 -1.8099699 12 P -1.9173888 0.0000000 0.6340024 0.0000000 -1.2282184 0.0000000 1.0920788 0.0000000 -2.4294958 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (zx) 0.00000000 (zx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 11 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.61, Number of G-points: 285, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/168) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.119 ( 0.000 0.000 0.000) 0.000 2.291 ( 0.000 0.000 0.000) 0.000 2.535 ( 0.000 0.000 0.000) 0.000 2.749 ( 0.000 0.000 0.000) 0.000 2.868 ( 0.000 0.000 0.000) 0.000 2.929 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.823 ( 0.000 0.000 0.000) 0.000 3.982 ( 0.000 0.000 0.000) 0.000 4.024 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.121 ( 0.000 0.000 0.000) 0.000 5.680 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 10.047 ( 0.000 0.000 0.000) 0.000 10.822 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.655 ( 0.000 0.000 0.000) 0.000 33.353 ( 0.000 0.000 0.000) 0.000 33.805 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/168) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 7.804 -17.616 6.871) 20.456 0.481 ( 8.866 -19.977 6.461) 22.791 0.909 ( 9.350 -43.233 7.334) 44.837 1.718 ( 0.615 4.798 -3.620) 6.042 1.948 ( 5.943 -8.918 -1.781) 10.864 2.091 ( -2.383 -0.181 -0.379) 2.419 2.256 ( 0.463 -11.531 1.604) 11.651 2.380 ( 14.455 8.135 7.910) 18.377 2.630 ( -0.215 -8.965 0.144) 8.969 2.703 ( -5.311 2.975 1.477) 6.264 2.856 ( 0.194 1.136 -1.768) 2.110 2.922 ( -1.158 0.081 0.203) 1.179 3.247 ( 2.210 3.434 -2.007) 4.550 3.346 ( -1.235 1.950 -1.694) 2.863 3.395 ( -4.139 -1.456 1.139) 4.533 3.447 ( 3.929 -2.057 -2.431) 5.057 3.674 ( 0.387 1.134 -15.030) 15.077 3.887 ( 5.548 2.432 12.474) 13.867 3.960 ( 0.383 0.663 0.163) 0.783 4.055 ( 2.815 -1.431 2.038) 3.758 4.325 ( -2.300 0.482 -1.380) 2.725 4.782 ( -12.626 -7.846 -11.001) 18.493 5.074 ( -3.338 0.557 1.047) 3.542 5.134 ( 3.972 1.111 -0.282) 4.135 5.711 ( 5.920 4.326 6.013) 9.483 5.954 ( -2.181 2.398 -1.049) 3.407 5.984 ( 0.038 0.291 0.731) 0.788 6.731 ( -16.990 -3.073 -3.331) 17.584 10.054 ( 1.301 -0.235 -0.595) 1.450 10.830 ( 1.073 0.264 0.314) 1.148 11.012 ( -1.655 -1.376 -1.007) 2.376 11.680 ( -2.942 -1.745 -1.588) 3.772 14.571 ( 0.390 0.432 0.254) 0.635 14.650 ( -0.112 0.380 -0.086) 0.405 33.406 ( 2.309 6.268 18.042) 19.239 33.890 ( 31.032 15.835 -2.778) 34.950 ======================= Grid point 2 (3/168) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( 5.201 -20.358 4.766) 21.546 0.893 ( 3.340 -17.524 1.978) 17.949 1.652 ( 1.288 -5.755 -5.553) 8.100 1.756 ( 7.154 -30.371 7.172) 32.015 2.047 ( 2.217 1.785 0.884) 2.981 2.205 ( 8.987 -11.288 -1.706) 14.530 2.377 ( 4.315 0.273 -1.046) 4.449 2.479 ( 0.349 -8.229 3.041) 8.779 2.587 ( -8.248 3.905 2.871) 9.567 2.765 ( -2.610 -2.520 -4.216) 5.562 2.854 ( 0.781 -4.197 0.609) 4.312 2.928 ( -0.461 -1.255 3.192) 3.461 3.192 ( -3.665 1.939 0.990) 4.262 3.325 ( 1.874 -0.744 -2.010) 2.847 3.366 ( -4.705 1.188 -2.205) 5.330 3.529 ( 3.067 -5.451 -0.129) 6.256 3.619 ( 2.684 -1.481 -11.929) 12.316 3.866 ( 1.414 3.187 2.909) 4.541 4.032 ( 2.409 -3.547 5.229) 6.762 4.099 ( 6.279 1.490 -0.505) 6.473 4.282 ( -4.470 0.465 0.275) 4.503 4.779 ( -4.805 -2.558 -5.901) 8.028 5.043 ( -3.017 0.882 0.977) 3.291 5.134 ( 1.589 1.531 3.146) 3.842 5.691 ( 4.012 4.169 3.572) 6.800 5.870 ( -3.278 3.431 -2.128) 5.201 5.974 ( -0.178 1.601 1.912) 2.500 6.610 ( -11.870 3.064 -4.009) 12.898 10.070 ( 1.275 -0.585 -0.190) 1.415 10.836 ( 0.621 -0.238 -0.028) 0.666 11.023 ( -0.428 -0.977 -0.372) 1.130 11.685 ( -1.517 -1.074 -0.752) 2.005 14.565 ( 0.449 0.698 0.300) 0.882 14.642 ( -0.042 0.416 0.033) 0.419 33.373 ( 4.206 6.095 8.209) 11.056 33.792 ( 15.476 11.906 -1.950) 19.623 ======================= Grid point 3 (4/168) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -1.984 -14.952 -3.858) 15.569 1.230 ( 3.564 -19.682 1.887) 20.091 1.742 ( 3.877 -4.973 -3.173) 7.059 2.025 ( 3.334 2.156 0.839) 4.058 2.137 ( 5.070 -5.098 1.661) 7.379 2.360 ( -6.915 2.597 0.037) 7.386 2.518 ( -4.379 -4.150 -0.807) 6.087 2.541 ( 5.421 -0.814 2.623) 6.077 2.683 ( 4.748 -14.602 2.767) 15.602 2.731 ( -1.335 -5.722 -1.653) 6.103 2.918 ( -0.269 -1.222 0.435) 1.325 3.001 ( 3.087 -3.820 4.616) 6.740 3.157 ( -3.814 -1.454 2.857) 4.983 3.284 ( -3.225 1.858 -4.837) 6.103 3.347 ( 3.361 0.884 -0.166) 3.479 3.649 ( -0.479 -3.067 4.887) 5.789 3.690 ( 3.966 -6.641 -8.926) 11.811 3.890 ( 0.919 -5.307 0.475) 5.407 4.053 ( 1.481 0.807 -10.899) 11.029 4.174 ( 4.974 -4.703 7.147) 9.897 4.282 ( -2.901 -3.836 3.028) 5.684 4.751 ( -2.575 0.775 -2.834) 3.907 5.004 ( -1.528 1.596 0.161) 2.215 5.130 ( 0.028 1.335 3.536) 3.780 5.647 ( 3.336 4.777 1.520) 6.021 5.776 ( -3.043 2.838 -2.494) 4.851 5.934 ( -0.717 3.596 2.928) 4.692 6.411 ( -10.894 7.728 -3.860) 13.903 10.091 ( 1.204 -0.711 -0.092) 1.402 10.847 ( 0.480 -0.448 -0.104) 0.665 11.036 ( -0.034 -0.711 -0.199) 0.739 11.690 ( -0.979 -0.735 -0.409) 1.291 14.556 ( 0.308 0.635 0.222) 0.740 14.636 ( 0.080 0.198 0.228) 0.312 33.313 ( 3.906 6.466 3.948) 8.523 33.682 ( 10.421 9.136 -1.238) 13.914 ======================= Grid point 4 (5/168) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( -2.285 -13.833 -5.510) 15.064 1.589 ( 3.161 -16.003 -0.059) 16.312 1.772 ( -2.105 0.555 -5.044) 5.494 2.016 ( 8.456 5.446 3.361) 10.605 2.236 ( -6.444 4.949 3.642) 8.904 2.293 ( 4.432 -8.526 1.143) 9.677 2.510 ( -2.116 0.419 -1.071) 2.408 2.588 ( 0.985 -0.966 -3.568) 3.826 2.680 ( -1.597 -2.203 -0.220) 2.730 2.886 ( -0.687 2.433 2.235) 3.375 2.917 ( -0.321 0.080 7.613) 7.620 3.094 ( -1.497 0.536 0.836) 1.797 3.176 ( 0.269 5.026 -1.268) 5.191 3.290 ( 2.462 1.355 -2.949) 4.074 3.473 ( 5.457 -17.232 1.332) 18.125 3.711 ( -2.742 -3.876 4.084) 6.263 3.742 ( 1.689 -0.690 1.224) 2.197 4.001 ( 1.178 -3.022 -7.886) 8.527 4.008 ( 0.160 -1.299 -4.487) 4.674 4.349 ( 1.432 -9.363 2.889) 9.903 4.491 ( 2.998 -16.590 2.382) 17.026 4.686 ( -2.139 3.657 -0.687) 4.292 4.976 ( 0.866 0.889 -0.035) 1.241 5.106 ( -0.723 2.426 1.610) 3.000 5.581 ( 3.252 4.768 -0.743) 5.819 5.716 ( -1.779 0.601 -0.862) 2.066 5.861 ( -1.086 4.698 2.725) 5.538 6.135 ( -10.631 12.067 -3.111) 16.380 10.110 ( 0.876 -0.584 -0.060) 1.054 10.857 ( 0.328 -0.406 -0.088) 0.530 11.046 ( 0.064 -0.410 -0.135) 0.436 11.694 ( -0.586 -0.424 -0.201) 0.751 14.549 ( 0.164 0.374 0.149) 0.435 14.637 ( 0.115 -0.012 0.268) 0.292 33.235 ( 2.446 5.364 1.315) 6.041 33.607 ( 6.780 5.483 -0.340) 8.726 ======================= Grid point 5 (6/168) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -1.751 -9.063 -2.656) 9.605 1.702 ( -1.898 2.559 -2.689) 4.169 1.841 ( 7.700 -5.914 -1.390) 9.808 1.990 ( -5.553 -2.177 2.742) 6.564 2.106 ( 2.321 8.860 1.919) 9.358 2.443 ( -0.085 -2.340 3.025) 3.826 2.494 ( 0.642 0.120 -3.782) 3.837 2.630 ( 2.651 -6.656 -1.788) 7.384 2.744 ( -0.929 -3.809 -0.596) 3.966 2.801 ( -3.978 5.892 5.273) 8.851 2.961 ( 1.019 -1.058 4.979) 5.191 3.048 ( 0.583 2.983 -3.601) 4.712 3.059 ( -0.452 4.361 -1.283) 4.568 3.246 ( 0.712 2.138 -0.172) 2.260 3.614 ( 0.292 -0.319 -2.584) 2.620 3.796 ( -0.051 -2.529 7.507) 7.921 3.851 ( -1.986 -2.739 -0.741) 3.464 3.973 ( 2.051 -2.204 -5.412) 6.193 4.088 ( 2.119 -4.257 -0.901) 4.840 4.532 ( 0.206 -5.746 0.538) 5.775 4.595 ( -2.239 2.591 0.579) 3.473 4.808 ( 2.796 -12.055 1.667) 12.487 4.978 ( -1.253 1.947 0.540) 2.378 5.046 ( 2.360 2.632 -1.314) 3.772 5.571 ( 5.262 -3.075 -0.212) 6.098 5.720 ( -0.603 -1.377 0.422) 1.561 5.779 ( -0.879 4.674 1.238) 4.914 5.811 ( -9.036 11.788 -2.266) 15.024 10.122 ( 0.322 -0.226 -0.023) 0.394 10.864 ( 0.118 -0.161 -0.034) 0.202 11.051 ( 0.034 -0.130 -0.053) 0.144 11.695 ( -0.198 -0.137 -0.060) 0.248 14.546 ( 0.048 0.115 0.058) 0.138 14.639 ( 0.054 -0.041 0.117) 0.135 33.179 ( 0.813 2.098 0.221) 2.261 33.574 ( 2.409 1.800 -0.004) 3.007 ======================= Grid point 12 (7/168) ======================= q-point: ( 0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 23.868 0.000 -2.481) 23.996 0.352 ( 16.722 0.000 12.249) 20.729 0.710 ( 28.242 0.000 30.837) 41.816 1.769 ( 0.953 0.000 -7.874) 7.931 1.849 ( 6.638 0.000 -8.449) 10.745 2.069 ( -4.655 -0.000 0.344) 4.668 2.116 ( -2.022 -0.000 4.091) 4.563 2.533 ( -0.857 -0.000 1.112) 1.404 2.672 ( -9.287 -0.000 0.251) 9.290 2.703 ( -6.288 -0.000 1.556) 6.477 2.850 ( -2.652 -0.000 -2.828) 3.877 2.965 ( -1.326 -0.000 9.197) 9.292 3.316 ( -4.938 -0.000 -1.248) 5.094 3.367 ( 12.015 0.000 -23.588) 26.472 3.408 ( 0.807 0.000 1.190) 1.438 3.410 ( 1.762 0.000 -2.341) 2.930 3.644 ( 2.147 0.000 -14.609) 14.766 3.970 ( -1.840 -0.000 0.540) 1.918 3.999 ( 2.041 0.000 -0.274) 2.059 4.144 ( 9.531 0.000 12.874) 16.019 4.314 ( -3.016 -0.000 -4.062) 5.059 4.319 ( 0.449 0.000 -0.503) 0.675 5.071 ( -1.038 -0.000 -0.761) 1.287 5.182 ( 4.217 0.000 2.090) 4.707 5.858 ( 0.796 0.000 0.006) 0.796 5.947 ( -4.986 -0.000 -0.811) 5.052 5.988 ( 0.561 0.000 -0.026) 0.561 6.461 ( -12.111 -0.000 10.120) 15.783 10.063 ( 2.108 0.000 -1.606) 2.650 10.859 ( 0.267 0.000 -0.344) 0.436 10.957 ( 0.577 0.000 0.013) 0.577 11.621 ( -0.070 -0.000 -0.012) 0.071 14.582 ( 0.686 0.000 0.500) 0.850 14.665 ( 0.911 0.000 0.824) 1.228 33.543 ( -3.544 -0.000 16.983) 17.348 34.492 ( 9.071 0.000 -19.393) 21.409 ======================= Grid point 13 (8/168) ======================= q-point: ( 0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 13.098 -12.334 3.318) 18.295 0.739 ( 12.582 -11.392 9.603) 19.502 1.242 ( 16.889 -24.403 14.314) 32.949 1.687 ( 4.159 1.646 -7.647) 8.859 1.991 ( 7.016 -12.516 -10.108) 17.551 2.039 ( -4.252 -0.177 0.969) 4.364 2.289 ( -0.131 -13.730 5.562) 14.814 2.506 ( -1.691 4.281 -0.802) 4.672 2.602 ( -9.014 2.925 1.606) 9.611 2.646 ( -0.493 -3.963 1.117) 4.147 2.821 ( -1.855 -0.508 -1.446) 2.407 2.952 ( 2.659 2.912 5.156) 6.491 3.245 ( -2.548 4.460 -2.815) 5.858 3.292 ( -0.317 0.549 -2.684) 2.757 3.366 ( -0.439 2.724 -2.060) 3.444 3.471 ( 1.819 -3.282 -1.783) 4.155 3.601 ( 5.674 0.084 -12.849) 14.046 3.932 ( -0.750 2.554 -0.375) 2.688 4.008 ( 1.583 -0.860 -0.485) 1.866 4.219 ( 7.956 2.654 3.438) 9.064 4.253 ( -3.592 -0.127 4.409) 5.689 4.553 ( -5.599 -13.095 -6.277) 15.563 5.051 ( -1.276 1.081 0.964) 1.930 5.203 ( 2.507 2.049 4.844) 5.826 5.815 ( 2.339 4.239 3.009) 5.700 5.879 ( -5.618 2.031 -2.293) 6.399 5.994 ( 0.366 0.069 0.875) 0.951 6.471 ( -14.067 -4.265 -1.779) 14.807 10.074 ( 1.979 -0.156 -0.525) 2.053 10.847 ( 0.921 0.745 -0.012) 1.185 10.990 ( -0.252 -1.996 -0.471) 2.067 11.641 ( -1.089 -1.791 -0.528) 2.161 14.583 ( 0.597 0.586 0.556) 1.004 14.662 ( 1.055 1.206 0.922) 1.849 33.551 ( 2.989 4.838 10.491) 11.933 34.224 ( 15.995 20.166 -6.844) 26.633 ======================= Grid point 14 (9/168) ======================= q-point: ( 0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 8.078 -16.264 1.391) 18.213 0.988 ( 4.810 -7.241 5.107) 10.082 1.626 ( 3.947 -9.500 -8.433) 13.302 1.949 ( 6.412 -12.368 8.702) 16.426 2.045 ( 1.628 -8.117 -1.783) 8.468 2.270 ( 3.389 -13.535 -5.825) 15.120 2.436 ( 2.851 -2.928 -2.906) 5.015 2.471 ( -10.101 2.679 3.296) 10.958 2.561 ( 6.131 -5.590 7.505) 11.188 2.696 ( -2.682 -1.921 -1.401) 3.585 2.872 ( 0.020 -4.329 1.977) 4.760 2.989 ( 3.837 -3.346 5.762) 7.688 3.140 ( -5.090 3.151 1.130) 6.092 3.259 ( -5.974 2.299 -2.351) 6.820 3.328 ( 1.983 -2.298 -4.047) 5.059 3.562 ( 4.069 -6.675 -3.938) 8.754 3.616 ( 5.184 -1.181 -5.595) 7.718 3.891 ( 0.952 1.630 0.302) 1.911 4.005 ( -0.800 0.061 -8.990) 9.026 4.188 ( -2.892 -0.317 1.822) 3.433 4.300 ( 5.469 2.016 8.492) 10.300 4.661 ( -3.767 -5.834 -4.872) 8.483 5.025 ( -1.016 1.380 1.321) 2.164 5.189 ( 0.539 2.853 5.265) 6.012 5.762 ( 0.510 4.214 2.846) 5.110 5.787 ( -3.335 2.829 -3.615) 5.674 5.989 ( -0.497 1.564 2.444) 2.944 6.384 ( -12.847 1.199 -4.543) 13.679 10.091 ( 1.816 -0.357 -0.171) 1.858 10.847 ( 0.833 0.033 -0.044) 0.835 11.016 ( -0.019 -1.291 -0.357) 1.340 11.660 ( -1.055 -1.385 -0.429) 1.793 14.575 ( 0.382 0.897 0.396) 1.052 14.651 ( 0.691 0.992 0.757) 1.426 33.501 ( 4.850 7.562 5.687) 10.632 33.992 ( 13.453 15.132 -3.070) 20.479 ======================= Grid point 15 (10/168) ======================= q-point: ( 0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 3.514 -10.024 -1.066) 10.676 1.299 ( 3.144 -16.708 2.054) 17.124 1.746 ( 1.911 -2.369 -3.577) 4.697 2.052 ( 1.499 -6.597 0.945) 6.831 2.255 ( -1.934 5.611 -1.535) 6.130 2.302 ( 10.296 -4.856 -2.459) 11.646 2.413 ( -9.737 -4.621 2.660) 11.101 2.558 ( -0.528 -0.890 -0.304) 1.078 2.653 ( -4.330 0.424 -1.851) 4.728 2.891 ( 7.818 -9.288 8.824) 15.008 2.945 ( 1.514 -3.553 3.784) 5.407 3.064 ( -1.559 0.377 3.451) 3.806 3.162 ( 1.946 -2.160 -2.893) 4.102 3.193 ( -0.856 -7.850 -0.572) 7.917 3.378 ( 0.733 -2.424 1.295) 2.845 3.652 ( 2.786 -3.417 -11.374) 12.198 3.685 ( -0.605 -2.314 4.234) 4.863 3.921 ( 3.021 -3.048 -3.495) 5.535 3.960 ( -0.041 -2.260 -8.844) 9.128 4.253 ( -1.009 -8.678 4.112) 9.655 4.333 ( 3.934 0.486 6.047) 7.231 4.684 ( -2.726 -1.185 -2.840) 4.111 5.001 ( 0.291 1.193 0.968) 1.563 5.155 ( -0.976 2.761 3.448) 4.523 5.692 ( 1.502 5.226 -1.425) 5.622 5.711 ( -2.632 1.058 -0.473) 2.876 5.944 ( -1.575 3.761 2.986) 5.054 6.208 ( -11.422 6.323 -3.846) 13.610 10.110 ( 1.484 -0.360 -0.088) 1.530 10.855 ( 0.678 -0.231 0.002) 0.717 11.034 ( 0.076 -0.811 -0.310) 0.872 11.674 ( -0.784 -1.028 -0.241) 1.315 14.562 ( 0.220 0.778 0.246) 0.846 14.644 ( 0.309 0.508 0.476) 0.762 33.398 ( 3.837 8.599 2.130) 9.654 33.827 ( 10.235 11.529 -1.035) 15.452 ======================= Grid point 16 (11/168) ======================= q-point: ( 0.45 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 2.030 -10.938 0.282) 11.128 1.582 ( -4.198 -11.720 0.574) 12.462 1.766 ( 5.758 -1.950 -1.177) 6.192 2.098 ( -1.180 7.923 4.342) 9.112 2.228 ( 3.383 -3.758 -1.757) 5.353 2.370 ( 4.239 -3.249 -5.584) 7.727 2.462 ( -4.157 -1.317 6.762) 8.046 2.567 ( -1.858 0.355 -0.877) 2.085 2.627 ( -0.565 -4.599 -2.850) 5.440 2.912 ( -0.884 4.214 3.460) 5.523 2.978 ( -0.120 0.322 6.247) 6.257 3.071 ( -0.040 1.742 -1.412) 2.243 3.156 ( -0.933 3.031 -2.536) 4.061 3.291 ( 1.506 2.046 -4.671) 5.317 3.545 ( 2.516 -6.253 -2.511) 7.193 3.674 ( -2.929 -8.899 1.458) 9.481 3.803 ( 0.842 -5.863 7.355) 9.444 3.929 ( 1.043 -1.409 -9.332) 9.495 4.010 ( 4.123 -3.476 -3.842) 6.622 4.410 ( 2.078 -5.996 4.153) 7.584 4.556 ( 2.240 -16.554 3.182) 17.005 4.646 ( -2.062 1.774 -0.815) 2.839 4.998 ( 1.428 0.472 0.597) 1.618 5.102 ( -0.864 2.947 0.009) 3.071 5.609 ( 2.014 3.410 -1.614) 4.276 5.696 ( -0.616 -0.654 0.446) 1.003 5.859 ( -2.635 4.813 1.896) 5.806 5.955 ( -9.564 11.069 -2.015) 14.767 10.124 ( 0.962 -0.134 -0.052) 0.972 10.863 ( 0.466 -0.174 0.080) 0.504 11.045 ( 0.023 -0.457 -0.274) 0.533 11.684 ( -0.457 -0.717 -0.103) 0.856 14.553 ( 0.088 0.485 0.147) 0.514 14.641 ( 0.083 0.148 0.144) 0.222 33.278 ( 2.173 7.034 0.450) 7.376 33.703 ( 6.253 8.488 -0.126) 10.543 ======================= Grid point 17 (12/168) ======================= q-point: ( 0.55 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -1.681 -9.400 1.990) 9.755 1.662 ( -2.506 -2.472 3.144) 4.720 1.922 ( 2.767 0.374 0.891) 2.931 1.952 ( 0.979 0.466 1.976) 2.254 2.194 ( 5.367 8.960 1.784) 10.595 2.445 ( 0.614 -2.188 -5.156) 5.634 2.469 ( -4.015 -1.231 3.899) 5.731 2.605 ( -1.991 -8.071 -3.462) 9.005 2.694 ( -0.606 0.125 -2.097) 2.186 2.839 ( 1.675 2.238 1.674) 3.258 2.987 ( -0.474 5.289 -3.837) 6.551 3.038 ( 1.379 -2.229 3.059) 4.028 3.054 ( -0.281 4.009 0.397) 4.038 3.224 ( -1.406 1.497 -3.573) 4.121 3.572 ( -1.218 -2.453 -5.071) 5.763 3.802 ( -2.372 -1.255 0.183) 2.689 3.870 ( -0.591 -1.684 6.689) 6.923 3.978 ( 3.384 -3.035 -2.639) 5.256 4.114 ( 3.196 -2.390 -1.709) 4.341 4.542 ( -1.676 0.126 1.034) 1.973 4.589 ( 1.529 -3.703 2.144) 4.544 4.854 ( 1.002 -10.200 1.718) 10.392 4.959 ( -0.590 4.886 -0.544) 4.952 5.050 ( -0.160 2.861 -2.357) 3.711 5.632 ( -2.189 1.125 0.298) 2.480 5.681 ( -0.778 1.951 0.097) 2.102 5.727 ( 0.523 -2.545 -0.504) 2.647 5.779 ( -0.768 3.833 1.208) 4.092 10.127 ( 0.339 0.271 -0.013) 0.434 10.867 ( 0.219 0.082 0.139) 0.272 11.050 ( -0.055 -0.190 -0.177) 0.266 11.693 ( -0.105 -0.442 -0.002) 0.455 14.547 ( -0.004 0.217 0.046) 0.222 14.639 ( -0.041 0.061 -0.130) 0.150 33.191 ( 0.612 3.417 0.057) 3.471 33.605 ( 1.699 5.284 -0.064) 5.551 ======================= Grid point 18 (13/168) ======================= q-point: (-0.36 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( -0.102 1.618 4.384) 4.675 1.719 ( -3.542 1.651 0.210) 3.913 1.768 ( -1.530 2.738 8.012) 8.604 2.003 ( -0.767 9.293 3.491) 9.957 2.157 ( 9.641 -5.168 -4.711) 11.910 2.412 ( -0.524 4.431 -3.145) 5.458 2.504 ( -3.199 -1.415 4.311) 5.552 2.587 ( -0.797 1.372 -6.305) 6.501 2.687 ( -2.752 -1.061 -1.193) 3.182 2.875 ( 2.079 0.767 -2.521) 3.357 2.897 ( 1.242 -1.149 -3.828) 4.185 3.027 ( -2.832 -2.488 -0.412) 3.792 3.108 ( 2.110 -2.233 3.235) 4.461 3.223 ( -0.946 -3.295 -1.081) 3.594 3.608 ( -1.697 -3.700 -0.754) 4.140 3.743 ( 0.184 4.697 -3.537) 5.883 3.881 ( 1.381 11.071 -0.677) 11.177 4.000 ( -1.282 -0.727 5.547) 5.739 4.068 ( -0.987 1.735 0.249) 2.011 4.551 ( 2.444 5.204 0.698) 5.792 4.615 ( 0.716 -0.882 0.061) 1.138 4.755 ( -2.482 14.113 -1.554) 14.413 4.962 ( -2.865 1.221 0.138) 3.117 5.035 ( 0.549 -6.115 -0.280) 6.146 5.506 ( -4.019 0.366 0.570) 4.076 5.728 ( 0.673 0.878 0.172) 1.120 5.778 ( 0.511 -3.774 -1.237) 4.004 5.959 ( 7.623 -15.059 2.195) 17.020 10.119 ( -0.216 0.695 0.024) 0.729 10.864 ( -0.009 0.389 0.152) 0.418 11.050 ( -0.083 0.060 -0.052) 0.115 11.699 ( 0.221 -0.187 0.093) 0.304 14.545 ( -0.077 -0.006 -0.051) 0.092 14.637 ( -0.055 0.084 -0.229) 0.250 33.165 ( -0.726 -0.606 -0.290) 0.989 33.538 ( -2.335 1.501 -0.094) 2.778 ======================= Grid point 19 (14/168) ======================= q-point: (-0.27 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -0.110 14.433 2.889) 14.719 1.571 ( 3.911 15.601 4.853) 16.800 1.821 ( -2.974 4.159 3.679) 6.299 1.847 ( -8.933 -3.210 -2.408) 9.793 2.254 ( 0.907 4.775 0.566) 4.894 2.326 ( 9.451 -4.035 -7.348) 12.633 2.501 ( -2.807 -0.647 -1.750) 3.371 2.612 ( -2.689 3.843 6.307) 7.860 2.666 ( -0.008 -4.897 -0.438) 4.916 2.841 ( -1.211 0.596 -5.232) 5.404 2.935 ( 3.868 0.101 0.351) 3.885 3.066 ( -1.979 -2.607 -4.171) 5.302 3.190 ( 0.987 -3.766 0.312) 3.905 3.288 ( -1.560 -3.394 3.850) 5.364 3.408 ( -2.105 23.755 -0.153) 23.848 3.673 ( -0.309 0.555 -5.583) 5.619 3.723 ( -1.270 -0.278 -0.227) 1.319 4.034 ( 0.877 4.836 2.277) 5.417 4.054 ( -1.218 -1.409 5.280) 5.599 4.325 ( -0.299 15.530 -0.343) 15.537 4.441 ( -1.268 13.412 -1.329) 13.537 4.710 ( 0.567 -4.980 0.099) 5.014 4.979 ( 0.646 -2.366 0.716) 2.555 5.098 ( 0.296 -1.485 -1.699) 2.275 5.535 ( -2.918 -4.313 0.007) 5.207 5.753 ( 1.488 -2.191 1.367) 2.981 5.850 ( 0.458 -4.436 -2.246) 4.993 6.292 ( 6.860 -13.531 2.237) 15.334 10.100 ( -0.526 0.960 0.040) 1.096 10.855 ( -0.153 0.597 0.122) 0.628 11.046 ( -0.043 0.322 0.035) 0.327 11.703 ( 0.463 0.060 0.191) 0.504 14.546 ( -0.148 -0.246 -0.104) 0.305 14.635 ( 0.069 -0.010 -0.113) 0.133 33.191 ( -1.779 -3.233 -1.356) 3.931 33.522 ( -4.743 -2.733 0.263) 5.480 ======================= Grid point 20 (15/168) ======================= q-point: (-0.18 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -1.580 21.210 -0.646) 21.279 1.260 ( 2.975 21.694 2.232) 22.010 1.689 ( -3.635 3.422 0.218) 4.997 1.905 ( -6.460 -6.485 -1.059) 9.214 2.184 ( 7.534 8.127 0.953) 11.123 2.352 ( -10.264 12.977 -2.861) 16.791 2.464 ( 6.514 0.912 -1.962) 6.864 2.531 ( -2.403 0.686 -0.503) 2.549 2.675 ( 0.367 14.223 1.328) 14.290 2.774 ( 0.878 -2.188 2.790) 3.653 2.933 ( -1.341 3.584 -2.662) 4.662 2.940 ( 1.401 2.753 0.735) 3.175 3.201 ( 4.666 -1.526 -1.257) 5.068 3.275 ( -4.572 -3.132 -1.950) 5.875 3.360 ( 0.865 -2.851 4.221) 5.166 3.617 ( 0.022 3.517 -2.864) 4.536 3.701 ( -1.598 2.869 3.279) 4.641 3.907 ( 2.583 10.059 1.753) 10.532 4.016 ( -6.319 3.846 -2.756) 7.894 4.120 ( 0.084 3.212 1.560) 3.572 4.309 ( 1.869 2.057 -0.542) 2.832 4.794 ( 0.827 -3.365 1.075) 3.628 5.035 ( 1.592 -2.169 0.595) 2.756 5.103 ( -0.099 -0.267 -1.760) 1.783 5.588 ( -2.197 -3.590 -1.030) 4.333 5.827 ( 1.265 -3.708 1.313) 4.132 5.920 ( 0.192 -3.565 -1.506) 3.875 6.558 ( 4.794 -9.868 1.746) 11.109 10.078 ( -0.479 0.968 0.040) 1.081 10.843 ( -0.174 0.625 0.062) 0.652 11.038 ( 0.055 0.506 0.075) 0.514 11.705 ( 0.528 0.246 0.246) 0.632 14.551 ( -0.168 -0.478 -0.102) 0.517 14.638 ( 0.198 -0.236 0.071) 0.316 33.235 ( -2.092 -3.851 -2.423) 5.008 33.571 ( -4.773 -5.997 0.600) 7.688 ======================= Grid point 21 (16/168) ======================= q-point: (-0.09 0.09 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -0.000 23.906 -0.000) 23.906 0.861 ( -0.000 22.753 -0.000) 22.753 1.659 ( -0.000 6.009 -0.000) 6.009 1.680 ( -0.000 34.587 -0.000) 34.587 1.968 ( 0.000 -2.649 0.000) 2.649 2.160 ( -0.000 4.370 -0.000) 4.370 2.359 ( -0.000 7.039 -0.000) 7.039 2.453 ( -0.000 9.746 -0.000) 9.746 2.641 ( 0.000 -5.285 0.000) 5.285 2.811 ( -0.000 3.970 -0.000) 3.970 2.846 ( -0.000 3.910 -0.000) 3.910 2.920 ( 0.000 -0.647 0.000) 0.647 3.223 ( -0.000 0.486 -0.000) 0.486 3.311 ( 0.000 -2.787 0.000) 2.787 3.416 ( 0.000 -1.680 0.000) 1.680 3.496 ( -0.000 5.876 -0.000) 5.876 3.747 ( 0.000 -4.721 0.000) 4.721 3.752 ( -0.000 4.821 -0.000) 4.821 3.954 ( -0.000 0.521 -0.000) 0.521 4.084 ( -0.000 2.307 -0.000) 2.307 4.319 ( 0.000 -1.163 0.000) 1.163 4.850 ( 0.000 -1.766 0.000) 1.766 5.076 ( 0.000 -1.255 0.000) 1.255 5.104 ( 0.000 -0.433 0.000) 0.433 5.630 ( 0.000 -2.478 0.000) 2.478 5.905 ( 0.000 -3.765 0.000) 3.765 5.965 ( 0.000 -1.673 0.000) 1.673 6.732 ( 0.000 -6.324 0.000) 6.324 10.061 ( -0.000 0.738 -0.000) 0.738 10.831 ( -0.000 0.500 -0.000) 0.500 11.030 ( -0.000 0.486 -0.000) 0.486 11.704 ( -0.000 0.284 -0.000) 0.284 14.560 ( 0.000 -0.574 0.000) 0.574 14.645 ( 0.000 -0.386 0.000) 0.386 33.283 ( 0.000 -3.271 0.000) 3.271 33.667 ( 0.000 -6.269 0.000) 6.269 ======================= Grid point 24 (17/168) ======================= q-point: ( 0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 22.748 0.000 -1.108) 22.775 0.695 ( 15.971 0.000 12.033) 19.997 1.260 ( 13.201 0.000 12.605) 18.252 1.727 ( 8.522 0.000 -4.623) 9.695 1.843 ( 6.338 0.000 -15.921) 17.136 2.021 ( -2.987 -0.000 3.448) 4.562 2.158 ( 0.472 0.000 8.384) 8.397 2.512 ( -11.775 -0.000 -0.049) 11.775 2.531 ( -0.783 -0.000 1.806) 1.969 2.612 ( -4.380 -0.000 -3.154) 5.398 2.801 ( -1.815 -0.000 0.513) 1.886 3.033 ( 0.637 0.000 7.552) 7.578 3.213 ( -6.636 -0.000 -2.698) 7.163 3.348 ( 5.520 0.000 -10.618) 11.967 3.395 ( -3.427 -0.000 -0.851) 3.531 3.422 ( -1.003 -0.000 2.107) 2.333 3.582 ( 7.124 0.000 -15.028) 16.631 3.940 ( -2.905 -0.000 0.854) 3.028 4.009 ( 1.845 0.000 -4.435) 4.803 4.213 ( -5.213 -0.000 -1.309) 5.375 4.321 ( 0.524 0.000 -0.837) 0.987 4.407 ( 10.703 0.000 9.381) 14.232 5.058 ( -1.104 -0.000 1.015) 1.499 5.268 ( 2.172 0.000 6.527) 6.879 5.838 ( -7.480 -0.000 -2.386) 7.851 5.874 ( 1.329 0.000 0.022) 1.330 5.999 ( 0.921 0.000 -0.023) 0.921 6.334 ( -11.224 -0.000 0.464) 11.234 10.086 ( 2.184 0.000 -0.464) 2.233 10.862 ( 0.437 0.000 -0.283) 0.521 10.969 ( 0.971 0.000 0.012) 0.971 11.619 ( -0.115 -0.000 -0.016) 0.116 14.596 ( 0.465 0.000 0.726) 0.862 14.690 ( 0.872 0.000 1.168) 1.458 33.664 ( 4.348 0.000 8.459) 9.511 34.457 ( 4.853 0.000 -11.440) 12.427 ======================= Grid point 25 (18/168) ======================= q-point: ( 0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( 15.600 -5.586 3.332) 16.902 0.987 ( 10.941 -4.843 7.189) 13.959 1.391 ( 4.845 -11.074 -11.348) 16.580 1.851 ( 11.452 -7.182 2.876) 13.820 1.990 ( 6.129 -7.939 -0.888) 10.069 2.017 ( 0.836 -4.302 0.396) 4.401 2.331 ( -1.071 -10.706 3.262) 11.243 2.424 ( -9.938 -0.263 1.338) 10.031 2.531 ( 1.681 -0.144 -0.892) 1.909 2.622 ( -2.285 -3.944 1.851) 4.920 2.812 ( -0.231 -2.158 3.263) 3.919 3.051 ( 3.188 2.017 6.203) 7.260 3.143 ( -5.695 0.973 -2.628) 6.347 3.289 ( -4.354 4.705 2.149) 6.761 3.311 ( 0.775 1.681 -7.440) 7.667 3.472 ( -0.476 -4.122 -0.151) 4.152 3.602 ( 8.054 -1.813 -11.377) 14.057 3.912 ( -1.107 1.261 -1.874) 2.515 3.986 ( -0.831 0.866 -6.120) 6.236 4.165 ( -3.091 0.524 1.402) 3.434 4.379 ( 0.939 -2.924 1.841) 3.581 4.532 ( 5.275 -2.979 2.586) 6.587 5.047 ( -0.796 0.891 1.400) 1.841 5.277 ( 0.098 3.108 7.078) 7.731 5.761 ( -6.001 1.209 -3.114) 6.868 5.857 ( 1.074 2.915 0.778) 3.202 6.008 ( 0.301 0.039 0.987) 1.032 6.266 ( -11.636 -1.415 -3.272) 12.170 10.101 ( 2.094 -0.101 -0.185) 2.105 10.858 ( 0.791 0.451 -0.094) 0.915 10.991 ( 0.596 -1.332 -0.196) 1.472 11.629 ( -0.418 -1.063 -0.131) 1.150 14.595 ( 0.249 0.709 0.618) 0.973 14.684 ( 0.469 1.339 0.992) 1.731 33.682 ( 5.165 5.060 5.194) 8.903 34.325 ( 8.320 12.102 -6.334) 15.994 ======================= Grid point 26 (19/168) ======================= q-point: ( 0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 10.856 -9.720 0.331) 14.575 1.108 ( 6.289 -4.316 4.501) 8.856 1.638 ( 6.804 -10.870 -6.600) 14.422 1.967 ( -2.911 -2.405 -2.591) 4.579 2.135 ( 5.580 -10.655 1.481) 12.118 2.291 ( 1.958 -8.879 0.964) 9.143 2.344 ( -6.594 2.337 0.106) 6.996 2.463 ( 3.076 -8.611 -0.358) 9.151 2.591 ( -5.110 -1.045 0.840) 5.283 2.783 ( 5.927 -12.300 6.517) 15.129 2.902 ( 0.974 -3.855 3.635) 5.387 3.043 ( -1.743 0.509 -0.165) 1.823 3.146 ( 3.673 -0.951 8.143) 8.983 3.151 ( -5.552 2.968 -3.173) 7.050 3.328 ( 0.872 -2.735 -0.146) 2.874 3.577 ( 1.756 -7.465 -3.442) 8.406 3.631 ( 4.286 -0.629 -7.935) 9.040 3.870 ( -0.583 -0.279 -11.649) 11.667 3.922 ( -0.866 1.488 0.552) 1.808 4.172 ( -1.936 -1.731 3.999) 4.768 4.419 ( 2.143 1.078 3.550) 4.285 4.607 ( 0.455 -2.949 -2.005) 3.595 5.030 ( -0.010 1.131 1.428) 1.822 5.227 ( -1.732 4.117 5.102) 6.781 5.694 ( -2.925 0.903 -2.953) 4.253 5.793 ( 0.107 4.602 0.676) 4.653 5.995 ( -1.850 1.904 2.270) 3.493 6.177 ( -9.741 1.019 -4.049) 10.598 10.117 ( 1.796 -0.138 -0.076) 1.803 10.859 ( 0.867 0.102 0.058) 0.875 11.016 ( 0.296 -1.120 -0.335) 1.206 11.646 ( -0.575 -1.228 -0.137) 1.363 14.582 ( 0.120 0.999 0.371) 1.072 14.665 ( 0.095 1.242 0.595) 1.380 33.602 ( 4.266 8.798 1.817) 9.945 34.136 ( 9.839 13.506 -2.012) 16.830 ======================= Grid point 27 (20/168) ======================= q-point: ( 0.45 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.265 ( 6.548 -6.570 4.440) 10.284 1.356 ( 3.564 -11.644 0.952) 12.215 1.767 ( 3.594 -2.404 -0.631) 4.370 2.049 ( 1.349 -9.421 -8.389) 12.687 2.231 ( -0.687 5.055 1.269) 5.257 2.301 ( -8.035 -4.146 4.985) 10.325 2.437 ( 7.537 -5.652 -1.751) 9.582 2.555 ( -0.335 -0.511 0.443) 0.755 2.604 ( -0.980 -0.484 4.258) 4.396 2.930 ( -3.836 -0.708 -1.823) 4.306 3.024 ( -5.085 1.354 3.844) 6.517 3.062 ( 2.216 -7.631 4.355) 9.062 3.093 ( 1.112 -2.570 -4.802) 5.559 3.296 ( 6.090 -1.964 -1.021) 6.480 3.418 ( 0.420 -8.996 8.073) 12.095 3.572 ( 0.239 1.540 -10.871) 10.982 3.700 ( -0.328 -5.046 -0.584) 5.090 3.869 ( 2.338 -2.953 -7.193) 8.119 3.972 ( 2.446 -4.414 -0.999) 5.145 4.275 ( -0.206 -10.810 3.591) 11.393 4.425 ( 2.253 0.137 4.042) 4.629 4.632 ( -1.685 -1.071 -1.976) 2.809 5.022 ( 1.079 0.711 1.090) 1.691 5.155 ( -2.078 3.752 1.936) 4.706 5.655 ( -0.528 1.210 -2.808) 3.103 5.716 ( -0.071 3.250 1.002) 3.402 5.924 ( -4.722 4.198 1.241) 6.438 6.044 ( -6.334 5.745 -1.572) 8.694 10.130 ( 1.326 -0.034 -0.051) 1.327 10.866 ( 0.711 -0.060 0.164) 0.732 11.033 ( 0.088 -0.742 -0.386) 0.841 11.663 ( -0.487 -1.105 -0.078) 1.210 14.566 ( 0.032 0.842 0.189) 0.864 14.649 ( -0.064 0.652 0.183) 0.680 33.456 ( 2.798 9.780 0.053) 10.172 33.956 ( 7.924 12.780 -0.123) 15.038 ======================= Grid point 28 (21/168) ======================= q-point: ( 0.55 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.599 -6.527 5.136) 8.458 1.562 ( 2.474 -8.166 2.289) 8.834 1.864 ( 6.080 -4.802 1.791) 7.952 2.101 ( -0.245 5.805 -1.430) 5.983 2.229 ( -1.023 -10.220 -8.359) 13.242 2.303 ( -2.004 0.207 0.303) 2.037 2.520 ( -2.886 -1.708 7.453) 8.172 2.539 ( -1.784 5.287 6.211) 8.350 2.663 ( 8.498 -3.613 -3.451) 9.858 2.879 ( -4.173 1.619 -1.778) 4.817 3.022 ( 0.306 -1.631 3.756) 4.107 3.067 ( 0.544 4.104 -3.079) 5.160 3.122 ( -0.927 2.001 -1.925) 2.927 3.247 ( -0.524 4.042 -5.406) 6.771 3.504 ( -0.791 -0.663 -5.773) 5.865 3.676 ( -2.518 -10.605 6.274) 12.577 3.805 ( -2.022 -5.524 -4.303) 7.288 3.949 ( 3.664 -3.341 3.036) 5.814 4.060 ( 7.184 -4.916 -3.474) 9.373 4.459 ( 0.048 -7.458 3.155) 8.098 4.588 ( -1.491 -0.653 0.936) 1.878 4.637 ( 1.438 -12.339 1.454) 12.507 5.019 ( 0.569 1.564 0.873) 1.879 5.084 ( -0.383 2.605 -1.783) 3.180 5.619 ( 1.207 0.510 -0.943) 1.615 5.699 ( -0.016 -0.359 0.384) 0.526 5.772 ( -7.152 7.447 -0.732) 10.351 5.885 ( -1.696 7.350 1.328) 7.659 10.136 ( 0.752 0.252 -0.030) 0.793 10.871 ( 0.452 0.033 0.205) 0.498 11.042 ( -0.048 -0.462 -0.325) 0.566 11.679 ( -0.268 -0.897 -0.025) 0.937 14.554 ( -0.017 0.533 0.092) 0.541 14.641 ( -0.092 0.231 -0.104) 0.270 33.305 ( 1.403 7.904 -0.186) 8.029 33.781 ( 4.304 11.068 0.150) 11.876 ======================= Grid point 29 (22/168) ======================= q-point: (-0.36 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.526 ( -6.510 -5.722 2.413) 8.997 1.726 ( 3.643 -4.944 5.888) 8.508 1.947 ( 0.384 7.143 1.427) 7.294 2.036 ( 5.583 -3.987 1.494) 7.021 2.257 ( -0.138 3.504 1.049) 3.660 2.374 ( -0.006 -8.342 -7.041) 10.916 2.455 ( -2.075 3.622 4.098) 5.849 2.581 ( -0.906 -2.441 1.336) 2.926 2.655 ( -1.293 4.904 -4.418) 6.726 2.869 ( 2.050 -1.900 -2.083) 3.485 2.938 ( 0.398 6.157 -3.851) 7.273 3.029 ( -3.231 3.118 -0.467) 4.514 3.106 ( 2.051 -2.487 4.305) 5.378 3.178 ( 0.013 0.728 -2.417) 2.525 3.501 ( -2.222 -3.161 -4.952) 6.281 3.781 ( -0.825 -0.550 0.526) 1.122 3.896 ( -1.137 -6.459 2.737) 7.106 4.015 ( 2.556 -1.717 -0.069) 3.080 4.150 ( 2.769 3.329 -0.701) 4.387 4.516 ( -1.951 -0.021 0.440) 2.000 4.651 ( 3.061 -6.166 2.519) 7.331 4.861 ( -1.621 -7.476 1.257) 7.752 4.956 ( 0.952 5.339 -1.657) 5.671 5.011 ( -1.743 4.816 -1.727) 5.406 5.552 ( -4.557 6.967 0.124) 8.326 5.726 ( 1.141 -2.818 0.680) 3.115 5.746 ( 2.707 -7.669 -0.118) 8.134 5.780 ( -0.292 1.615 0.904) 1.874 10.131 ( 0.222 0.646 -0.004) 0.683 10.872 ( 0.189 0.280 0.169) 0.377 11.047 ( -0.080 -0.246 -0.173) 0.312 11.692 ( -0.032 -0.665 0.020) 0.666 14.547 ( -0.034 0.277 0.020) 0.279 14.637 ( -0.073 0.089 -0.195) 0.226 33.197 ( 0.303 4.241 -0.029) 4.252 33.622 ( 0.812 8.027 -0.047) 8.068 ======================= Grid point 30 (23/168) ======================= q-point: (-0.27 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -5.136 -3.961 -0.060) 6.487 1.795 ( 4.078 7.244 -0.197) 8.315 1.806 ( -1.640 3.400 5.748) 6.877 2.081 ( 2.772 12.845 9.206) 16.045 2.209 ( 2.640 -2.952 -7.261) 8.271 2.380 ( -0.806 4.522 -1.313) 4.777 2.471 ( -2.953 0.077 0.158) 2.958 2.520 ( 0.577 -9.018 -5.325) 10.489 2.698 ( 1.381 -0.176 4.840) 5.037 2.790 ( -3.307 1.991 -5.820) 6.983 2.928 ( 0.334 -1.928 -0.370) 1.992 2.994 ( -0.126 -0.580 -0.518) 0.788 3.154 ( 0.919 -0.899 1.201) 1.759 3.218 ( 0.481 -4.243 0.406) 4.289 3.560 ( -1.765 -6.298 -1.944) 6.823 3.748 ( 1.174 4.094 0.471) 4.285 3.875 ( -0.348 19.524 -1.474) 19.582 4.020 ( -0.608 -2.745 2.153) 3.541 4.066 ( 0.052 -0.868 0.418) 0.965 4.589 ( 1.042 -5.335 0.134) 5.438 4.635 ( 2.418 11.044 1.036) 11.353 4.702 ( -3.228 15.969 -1.315) 16.345 4.931 ( -1.221 -2.968 0.293) 3.222 5.042 ( 0.457 -4.809 -0.338) 4.843 5.468 ( -1.593 -0.368 0.253) 1.654 5.739 ( 0.367 -0.122 0.246) 0.458 5.774 ( 0.139 -3.114 -0.612) 3.177 6.052 ( 2.933 -16.488 0.924) 16.773 10.117 ( -0.075 0.983 0.010) 0.986 10.866 ( 0.016 0.533 0.086) 0.540 11.048 ( -0.043 0.001 -0.041) 0.059 11.702 ( 0.101 -0.413 0.047) 0.427 14.544 ( -0.041 0.066 -0.022) 0.081 14.635 ( -0.006 0.019 -0.105) 0.107 33.155 ( -0.295 0.438 -0.139) 0.545 33.511 ( -1.005 3.614 -0.068) 3.752 ======================= Grid point 31 (24/168) ======================= q-point: (-0.18 0.18 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -0.000 12.906 -0.000) 12.906 1.714 ( -0.000 22.469 -0.000) 22.469 1.745 ( -0.000 4.579 -0.000) 4.579 1.764 ( 0.000 -3.287 0.000) 3.287 2.310 ( -0.000 3.983 -0.000) 3.983 2.328 ( 0.000 -7.191 0.000) 7.191 2.465 ( -0.000 0.220 -0.000) 0.220 2.601 ( -0.000 4.685 -0.000) 4.685 2.701 ( 0.000 -6.022 0.000) 6.022 2.793 ( 0.000 -1.043 0.000) 1.043 2.983 ( -0.000 1.438 -0.000) 1.438 3.010 ( 0.000 -4.587 0.000) 4.587 3.198 ( 0.000 -2.928 0.000) 2.928 3.296 ( 0.000 -2.272 0.000) 2.272 3.399 ( -0.000 24.486 -0.000) 24.486 3.640 ( 0.000 -0.874 0.000) 0.874 3.709 ( 0.000 -0.162 0.000) 0.162 4.054 ( -0.000 3.300 -0.000) 3.300 4.063 ( 0.000 -0.226 0.000) 0.226 4.322 ( -0.000 18.887 -0.000) 18.887 4.430 ( -0.000 11.129 -0.000) 11.129 4.712 ( 0.000 -5.717 0.000) 5.717 4.991 ( 0.000 -3.267 0.000) 3.267 5.092 ( 0.000 -1.028 0.000) 1.028 5.511 ( 0.000 -3.793 0.000) 3.793 5.772 ( 0.000 -2.799 0.000) 2.799 5.842 ( 0.000 -4.298 0.000) 4.298 6.354 ( 0.000 -14.308 0.000) 14.308 10.096 ( -0.000 1.111 -0.000) 1.111 10.854 ( -0.000 0.671 -0.000) 0.671 11.046 ( -0.000 0.273 -0.000) 0.273 11.708 ( 0.000 -0.128 0.000) 0.128 14.544 ( 0.000 -0.182 0.000) 0.182 14.635 ( 0.000 -0.117 0.000) 0.117 33.170 ( 0.000 -2.098 0.000) 2.098 33.487 ( 0.000 -1.560 0.000) 1.560 ======================= Grid point 36 (25/168) ======================= q-point: ( 0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 20.299 0.000 0.829) 20.316 1.021 ( 14.548 0.000 11.532) 18.564 1.267 ( 3.248 0.000 -15.172) 15.516 1.778 ( 3.821 0.000 -15.017) 15.495 1.962 ( 5.458 0.000 5.115) 7.480 2.094 ( 8.349 0.000 11.669) 14.348 2.223 ( -1.059 -0.000 3.868) 4.010 2.342 ( -11.424 -0.000 1.272) 11.494 2.549 ( 0.408 0.000 -3.099) 3.126 2.567 ( 3.282 0.000 4.103) 5.254 2.815 ( 0.113 0.000 5.241) 5.242 3.087 ( -6.466 -0.000 -3.437) 7.323 3.117 ( 2.583 0.000 7.402) 7.840 3.267 ( -10.031 -0.000 -4.214) 10.880 3.351 ( 2.967 0.000 -3.291) 4.431 3.409 ( -3.235 -0.000 1.934) 3.769 3.598 ( 9.781 0.000 -11.336) 14.972 3.904 ( -2.917 -0.000 0.859) 3.041 3.952 ( -1.442 -0.000 -9.326) 9.437 4.173 ( -0.597 -0.000 2.293) 2.369 4.320 ( 0.385 0.000 -0.865) 0.947 4.598 ( 6.855 0.000 4.082) 7.978 5.055 ( -0.718 -0.000 1.502) 1.665 5.337 ( -2.283 -0.000 8.147) 8.461 5.717 ( -4.181 -0.000 -3.537) 5.477 5.895 ( 1.433 0.000 0.041) 1.434 6.013 ( 0.970 0.000 0.002) 0.970 6.154 ( -11.423 -0.000 -3.054) 11.825 10.115 ( 2.032 0.000 -0.082) 2.033 10.868 ( 0.620 0.000 -0.148) 0.638 10.984 ( 1.058 0.000 -0.002) 1.058 11.617 ( -0.120 -0.000 -0.010) 0.121 14.606 ( -0.018 -0.000 0.653) 0.653 14.701 ( -0.468 -0.000 0.654) 0.805 33.786 ( 4.820 0.000 3.117) 5.740 34.457 ( 5.721 0.000 -5.884) 8.207 ======================= Grid point 37 (26/168) ======================= q-point: ( 0.36 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 15.331 -0.747 2.919) 15.624 1.164 ( 9.876 0.681 0.626) 9.919 1.434 ( 12.784 -14.294 -4.746) 19.755 1.837 ( 0.803 -7.435 -8.544) 11.355 2.034 ( -1.041 -4.872 2.522) 5.584 2.184 ( 1.618 -2.924 1.427) 3.634 2.283 ( -6.498 -2.547 -2.034) 7.270 2.333 ( 0.568 -7.990 6.152) 10.100 2.548 ( 0.139 0.367 0.042) 0.395 2.687 ( 4.396 -5.112 5.497) 8.699 2.865 ( 1.580 -3.243 5.440) 6.528 3.038 ( -2.344 -0.869 -2.576) 3.590 3.144 ( -10.819 2.843 -1.313) 11.263 3.184 ( 4.247 -1.121 8.943) 9.963 3.322 ( 2.609 1.471 -1.421) 3.315 3.446 ( -3.222 -4.487 0.124) 5.525 3.629 ( 8.245 -0.387 -10.673) 13.492 3.843 ( -2.149 2.838 -8.474) 9.192 3.923 ( -2.764 -0.887 -0.303) 2.918 4.177 ( 1.246 0.594 3.281) 3.560 4.373 ( -0.576 -4.679 -0.603) 4.753 4.629 ( 3.581 1.823 0.329) 4.032 5.051 ( -0.259 0.621 1.510) 1.653 5.308 ( -3.962 3.566 6.104) 8.103 5.680 ( -0.882 0.559 -2.593) 2.796 5.869 ( -0.111 3.510 0.128) 3.514 6.010 ( -2.451 0.868 0.828) 2.729 6.086 ( -7.041 -2.013 -3.670) 8.191 10.129 ( 1.744 -0.016 -0.011) 1.744 10.869 ( 0.750 0.219 0.013) 0.782 11.000 ( 0.721 -0.817 -0.139) 1.098 11.624 ( -0.225 -0.771 -0.026) 0.804 14.600 ( -0.193 0.716 0.432) 0.858 14.687 ( -0.766 1.039 0.300) 1.325 33.773 ( 3.745 5.576 0.590) 6.742 34.399 ( 7.152 8.503 -2.322) 11.351 ======================= Grid point 38 (27/168) ======================= q-point: ( 0.45 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 8.288 -4.970 1.850) 9.839 1.272 ( 12.321 -3.501 2.643) 13.078 1.706 ( 7.328 -7.216 -2.746) 10.645 1.903 ( -1.450 -4.025 -2.922) 5.181 2.153 ( -9.670 -5.606 4.521) 12.057 2.250 ( 3.404 -6.896 -2.657) 8.136 2.364 ( 3.823 -6.598 -2.988) 8.190 2.522 ( -5.630 -1.520 1.805) 6.105 2.541 ( 4.186 -7.298 4.868) 9.721 2.787 ( -4.385 -6.393 -5.314) 9.399 2.956 ( 1.470 -1.071 5.915) 6.188 3.025 ( -7.897 0.494 0.504) 7.928 3.101 ( 5.779 -1.590 1.599) 6.203 3.301 ( 3.401 -4.613 10.787) 12.215 3.349 ( 2.360 -1.045 -0.940) 2.747 3.543 ( -2.898 -9.337 -1.815) 9.943 3.604 ( 3.499 2.932 -10.897) 11.815 3.774 ( 0.847 -2.390 -7.996) 8.389 3.924 ( -1.239 -0.979 1.766) 2.369 4.204 ( 1.881 -0.973 3.711) 4.273 4.439 ( -0.575 -2.185 0.546) 2.324 4.604 ( 0.040 0.904 -2.263) 2.438 5.045 ( 0.430 0.629 1.249) 1.463 5.224 ( -3.047 4.414 2.890) 6.093 5.659 ( 0.661 0.816 -1.664) 1.968 5.785 ( -1.528 4.172 0.008) 4.443 5.950 ( -5.516 2.429 0.032) 6.027 6.064 ( -2.367 0.778 -1.030) 2.696 10.140 ( 1.309 0.033 -0.008) 1.310 10.872 ( 0.716 0.088 0.159) 0.739 11.018 ( 0.289 -0.806 -0.297) 0.906 11.639 ( -0.304 -1.091 -0.023) 1.133 14.584 ( -0.211 0.960 0.179) 0.999 14.663 ( -0.516 0.996 0.064) 1.123 33.655 ( 2.561 9.329 -0.675) 9.697 34.250 ( 6.866 12.483 -0.093) 14.247 ======================= Grid point 39 (28/168) ======================= q-point: ( 0.55 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 0.873 -3.668 3.420) 5.090 1.471 ( 9.149 -6.852 2.876) 11.787 1.827 ( 3.265 -4.335 1.768) 5.708 1.975 ( -0.623 -6.743 -8.388) 10.780 2.158 ( -5.912 -1.917 -0.534) 6.238 2.321 ( 1.026 2.797 2.614) 3.964 2.492 ( -0.870 -4.600 8.169) 9.415 2.564 ( 3.561 -3.500 -3.901) 6.337 2.708 ( 5.405 -2.480 7.919) 9.904 2.793 ( -7.840 -3.088 -6.850) 10.860 2.975 ( -2.925 -3.610 -0.471) 4.670 3.071 ( -0.269 -3.776 -1.253) 3.988 3.121 ( 1.385 2.038 -0.601) 2.536 3.310 ( 0.626 3.881 -3.929) 5.557 3.504 ( -1.526 -9.223 9.935) 13.641 3.512 ( 1.528 3.454 -3.667) 5.264 3.654 ( -0.435 -5.811 -7.610) 9.585 3.905 ( 3.534 -6.799 2.695) 8.123 3.987 ( 2.189 -6.714 -3.339) 7.812 4.306 ( 0.670 -7.919 2.635) 8.373 4.468 ( 0.510 -3.645 1.598) 4.013 4.595 ( -1.514 -0.560 -1.401) 2.138 5.045 ( 0.852 0.550 0.756) 1.265 5.135 ( -1.638 3.992 0.427) 4.336 5.638 ( 0.454 1.260 -1.454) 1.977 5.720 ( -0.163 2.000 0.531) 2.076 5.839 ( -5.180 5.280 -0.452) 7.411 5.996 ( -1.408 4.999 0.554) 5.223 10.146 ( 0.783 0.192 -0.017) 0.807 10.877 ( 0.485 0.045 0.192) 0.524 11.031 ( 0.025 -0.615 -0.301) 0.685 11.658 ( -0.235 -1.120 -0.011) 1.144 14.566 ( -0.120 0.789 0.065) 0.800 14.646 ( -0.224 0.553 -0.073) 0.601 33.483 ( 1.426 10.151 -0.596) 10.268 34.049 ( 4.411 13.766 0.336) 14.460 ======================= Grid point 40 (29/168) ======================= q-point: ( 0.64 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( -1.998 -3.189 2.328) 4.425 1.661 ( 4.249 -6.849 3.289) 8.705 1.956 ( 2.393 -5.461 4.684) 7.582 2.041 ( -1.129 -3.416 -9.259) 9.934 2.138 ( -2.931 -1.761 -0.318) 3.434 2.315 ( 1.715 -1.402 -1.146) 2.494 2.524 ( -2.736 1.217 5.729) 6.464 2.584 ( 0.592 3.104 2.985) 4.347 2.774 ( 5.333 4.357 1.378) 7.023 2.797 ( -2.001 -4.897 -3.265) 6.216 3.012 ( -1.608 1.254 -5.449) 5.818 3.055 ( 1.064 1.734 -1.037) 2.283 3.082 ( -2.111 -0.347 1.568) 2.653 3.228 ( 0.511 3.931 -0.359) 3.980 3.452 ( -0.824 1.414 -2.638) 3.104 3.699 ( -1.653 -8.561 6.423) 10.830 3.742 ( 0.065 -7.579 -6.166) 9.771 3.999 ( 0.597 -1.987 1.364) 2.483 4.142 ( 4.541 -5.544 -0.578) 7.190 4.473 ( -0.373 -10.896 1.432) 10.996 4.559 ( -1.612 2.707 -0.489) 3.188 4.673 ( 0.898 -12.883 1.150) 12.965 5.031 ( 0.108 2.097 0.845) 2.264 5.064 ( -0.108 2.965 -1.589) 3.366 5.631 ( 1.001 -1.153 0.000) 1.527 5.669 ( -2.820 5.803 -0.658) 6.485 5.724 ( -0.287 0.943 0.422) 1.072 5.878 ( -0.553 6.757 0.554) 6.803 10.144 ( 0.285 0.473 -0.009) 0.552 10.878 ( 0.197 0.161 0.116) 0.280 11.039 ( -0.040 -0.459 -0.154) 0.486 11.676 ( -0.087 -0.987 -0.000) 0.991 14.554 ( -0.036 0.518 0.025) 0.520 14.638 ( -0.072 0.222 -0.095) 0.252 33.317 ( 0.476 8.216 -0.167) 8.232 33.826 ( 1.534 12.622 0.118) 12.715 ======================= Grid point 41 (30/168) ======================= q-point: (-0.27 0.27 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 0.000 -3.794 0.000) 3.794 1.795 ( 0.000 -4.493 0.000) 4.493 1.954 ( -0.000 6.766 -0.000) 6.766 2.092 ( 0.000 -4.836 0.000) 4.836 2.229 ( 0.000 -6.307 0.000) 6.307 2.362 ( 0.000 -3.598 0.000) 3.598 2.474 ( -0.000 2.365 -0.000) 2.365 2.570 ( -0.000 14.961 -0.000) 14.961 2.616 ( 0.000 -4.766 0.000) 4.766 2.865 ( -0.000 1.295 -0.000) 1.295 2.946 ( -0.000 2.801 -0.000) 2.801 2.982 ( -0.000 1.886 -0.000) 1.886 3.147 ( 0.000 -3.838 0.000) 3.838 3.174 ( -0.000 1.939 -0.000) 1.939 3.453 ( 0.000 -3.170 0.000) 3.170 3.779 ( 0.000 -0.848 0.000) 0.848 3.897 ( 0.000 -7.897 0.000) 7.897 4.035 ( 0.000 -1.877 0.000) 1.877 4.170 ( -0.000 6.702 -0.000) 6.702 4.503 ( 0.000 -0.889 0.000) 0.889 4.692 ( 0.000 -8.163 0.000) 8.163 4.846 ( 0.000 -5.768 0.000) 5.768 4.952 ( -0.000 10.182 -0.000) 10.182 4.992 ( -0.000 1.343 -0.000) 1.343 5.519 ( -0.000 6.193 -0.000) 6.193 5.734 ( 0.000 -1.299 0.000) 1.299 5.765 ( 0.000 -2.088 0.000) 2.088 5.787 ( 0.000 -6.957 0.000) 6.957 10.133 ( -0.000 0.785 -0.000) 0.785 10.874 ( -0.000 0.359 -0.000) 0.359 11.046 ( 0.000 -0.274 0.000) 0.274 11.692 ( 0.000 -0.749 0.000) 0.749 14.547 ( -0.000 0.292 -0.000) 0.292 14.635 ( -0.000 0.076 -0.000) 0.076 33.199 ( -0.000 4.513 -0.000) 4.513 33.628 ( -0.000 9.090 -0.000) 9.090 ======================= Grid point 48 (31/168) ======================= q-point: ( 0.36 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.223 ( 12.486 0.000 0.569) 12.499 1.301 ( 10.586 0.000 9.196) 14.022 1.330 ( 20.508 0.000 -7.319) 21.774 1.729 ( 5.264 0.000 -9.453) 10.820 1.993 ( -3.243 -0.000 3.143) 4.516 2.119 ( -9.186 -0.000 -2.942) 9.646 2.169 ( -6.984 -0.000 -1.774) 7.205 2.324 ( 0.995 0.000 4.938) 5.037 2.586 ( 3.725 0.000 1.995) 4.226 2.686 ( 5.865 0.000 5.020) 7.720 2.847 ( -3.781 -0.000 1.424) 4.040 2.985 ( -2.978 -0.000 -2.702) 4.021 3.107 ( -6.107 -0.000 3.873) 7.231 3.240 ( 2.810 0.000 9.126) 9.549 3.359 ( -5.223 -0.000 0.826) 5.288 3.381 ( 4.670 0.000 -2.667) 5.378 3.648 ( 8.823 0.000 -9.692) 13.106 3.837 ( -3.797 -0.000 -6.501) 7.529 3.874 ( -2.037 -0.000 0.611) 2.126 4.215 ( 2.679 0.000 3.295) 4.246 4.318 ( 0.239 0.000 -0.602) 0.648 4.663 ( 0.881 0.000 -2.092) 2.270 5.062 ( -0.221 -0.000 1.336) 1.354 5.331 ( -5.425 -0.000 4.920) 7.324 5.682 ( 1.628 0.000 -0.843) 1.833 5.914 ( 1.085 0.000 0.044) 1.086 5.966 ( -9.744 -0.000 -3.674) 10.413 6.026 ( 0.718 0.000 0.019) 0.719 10.141 ( 1.433 0.000 0.045) 1.433 10.876 ( 0.590 0.000 -0.006) 0.590 10.998 ( 0.808 0.000 -0.012) 0.808 11.616 ( -0.089 -0.000 -0.002) 0.089 14.606 ( -0.496 -0.000 0.296) 0.578 14.690 ( -1.189 -0.000 -0.027) 1.190 33.850 ( 2.728 0.000 -0.715) 2.820 34.516 ( 5.699 0.000 -1.076) 5.800 ======================= Grid point 49 (32/168) ======================= q-point: ( 0.45 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 11.437 1.977 1.216) 11.670 1.337 ( 11.603 -0.165 1.193) 11.665 1.624 ( 13.730 -9.201 0.331) 16.531 1.819 ( 3.938 -5.287 -1.908) 6.863 1.997 ( -8.814 -4.489 3.508) 10.495 2.085 ( -5.027 -6.202 -4.245) 9.042 2.182 ( -5.489 -8.371 -4.474) 10.965 2.400 ( -0.093 -6.426 2.873) 7.039 2.580 ( 2.454 3.216 1.924) 4.480 2.717 ( -3.104 1.686 -1.992) 4.056 2.885 ( -3.087 -6.824 0.714) 7.524 3.045 ( 3.707 -7.786 -0.064) 8.624 3.079 ( 0.655 3.986 9.655) 10.466 3.274 ( -2.820 -0.385 4.141) 5.025 3.366 ( -0.035 -3.363 2.980) 4.494 3.391 ( 0.287 0.142 -4.394) 4.405 3.652 ( 7.403 2.149 -9.364) 12.128 3.756 ( -1.866 2.214 -2.662) 3.933 3.891 ( -2.253 -1.954 1.148) 3.196 4.246 ( 3.754 0.692 3.835) 5.411 4.363 ( -0.185 -4.253 -0.342) 4.270 4.624 ( -1.684 2.186 -3.878) 4.759 5.061 ( -0.088 0.382 0.967) 1.043 5.283 ( -3.515 2.965 2.526) 5.247 5.686 ( 2.380 1.187 0.089) 2.661 5.837 ( -4.166 3.638 -1.420) 5.711 5.936 ( -2.967 -0.023 -0.675) 3.043 6.045 ( 0.107 -1.175 -0.245) 1.205 10.150 ( 0.989 0.042 0.039) 0.990 10.879 ( 0.496 0.088 0.072) 0.509 11.008 ( 0.451 -0.479 -0.091) 0.664 11.621 ( -0.111 -0.655 -0.001) 0.664 14.597 ( -0.494 0.617 0.083) 0.795 14.675 ( -0.785 0.694 -0.091) 1.052 33.808 ( 1.766 5.641 -1.095) 6.011 34.481 ( 4.604 7.462 0.089) 8.768 ======================= Grid point 50 (33/168) ======================= q-point: ( 0.55 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 3.757 -0.606 -0.009) 3.806 1.456 ( 7.453 -3.497 2.221) 8.527 1.780 ( 3.794 -2.857 -0.496) 4.776 1.879 ( -0.536 -1.892 -0.559) 2.044 2.045 ( -5.347 -5.071 0.787) 7.411 2.296 ( 2.873 -13.622 0.108) 13.922 2.379 ( 1.008 -12.953 -1.299) 13.057 2.460 ( -4.330 -1.918 1.561) 4.986 2.610 ( -0.599 -1.186 0.283) 1.359 2.677 ( -0.795 -6.319 -3.319) 7.182 2.957 ( -2.699 -1.032 1.678) 3.341 3.033 ( 1.465 2.571 4.680) 5.537 3.166 ( 2.765 1.542 -1.735) 3.610 3.342 ( -0.055 0.817 -3.446) 3.542 3.394 ( -0.496 -8.628 8.034) 11.800 3.476 ( -2.596 -9.345 -4.966) 10.896 3.602 ( 3.136 4.390 -1.259) 5.540 3.752 ( 1.366 -5.283 -2.551) 6.023 3.916 ( -1.012 -1.832 0.757) 2.225 4.280 ( 3.348 -0.079 2.996) 4.493 4.427 ( -0.925 -2.216 -0.479) 2.449 4.563 ( -1.731 0.043 -2.369) 2.934 5.059 ( 0.228 0.225 0.519) 0.610 5.204 ( -1.308 4.203 0.752) 4.465 5.669 ( 1.283 2.069 -0.326) 2.457 5.754 ( -1.838 2.228 -0.248) 2.899 5.888 ( -1.962 3.045 -0.198) 3.628 6.047 ( -0.367 1.231 0.064) 1.286 10.154 ( 0.480 0.126 0.008) 0.497 10.881 ( 0.289 0.060 0.092) 0.309 11.019 ( 0.107 -0.574 -0.129) 0.598 11.636 ( -0.099 -1.028 -0.000) 1.033 14.581 ( -0.209 0.814 0.008) 0.841 14.656 ( -0.265 0.752 -0.055) 0.799 33.673 ( 0.847 9.356 -0.592) 9.413 34.322 ( 2.529 12.376 0.263) 12.635 ======================= Grid point 51 (34/168) ======================= q-point: ( 0.64 0.36 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 -2.223 0.000) 2.223 1.572 ( 0.000 -5.474 0.000) 5.474 1.866 ( 0.000 -5.641 0.000) 5.641 1.920 ( 0.000 -3.815 0.000) 3.815 2.108 ( 0.000 -3.120 0.000) 3.120 2.334 ( -0.000 3.189 -0.000) 3.189 2.547 ( -0.000 0.863 -0.000) 0.863 2.611 ( 0.000 -11.681 0.000) 11.681 2.637 ( 0.000 -3.390 0.000) 3.390 2.821 ( 0.000 -4.659 0.000) 4.659 2.928 ( 0.000 -2.140 0.000) 2.140 3.057 ( 0.000 -1.292 0.000) 1.292 3.122 ( -0.000 3.071 -0.000) 3.071 3.294 ( -0.000 2.940 -0.000) 2.940 3.503 ( -0.000 3.139 -0.000) 3.139 3.575 ( 0.000 -5.712 0.000) 5.712 3.582 ( 0.000 -6.297 0.000) 6.297 3.956 ( 0.000 -2.836 0.000) 2.836 3.984 ( 0.000 -14.383 0.000) 14.383 4.327 ( 0.000 -3.878 0.000) 3.878 4.475 ( 0.000 -6.570 0.000) 6.570 4.574 ( 0.000 -0.769 0.000) 0.769 5.055 ( -0.000 0.579 -0.000) 0.579 5.124 ( -0.000 3.984 -0.000) 3.984 5.636 ( -0.000 1.488 -0.000) 1.488 5.721 ( -0.000 1.167 -0.000) 1.167 5.797 ( -0.000 5.795 -0.000) 5.795 5.989 ( -0.000 4.889 -0.000) 4.889 10.152 ( -0.000 0.273 -0.000) 0.273 10.881 ( -0.000 0.080 -0.000) 0.080 11.029 ( 0.000 -0.554 0.000) 0.554 11.656 ( 0.000 -1.123 0.000) 1.123 14.566 ( -0.000 0.724 -0.000) 0.724 14.644 ( -0.000 0.490 -0.000) 0.490 33.491 ( -0.000 10.206 -0.000) 10.206 34.084 ( -0.000 14.186 -0.000) 14.186 ======================= Grid point 61 (35/168) ======================= q-point: ( 0.45 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( 8.121 0.000 1.535) 8.265 1.445 ( 2.469 0.000 2.101) 3.242 1.608 ( 19.476 0.000 -1.734) 19.553 1.812 ( 10.842 0.000 0.882) 10.878 1.904 ( -11.857 -0.000 1.804) 11.994 1.971 ( -5.554 -0.000 -2.409) 6.054 2.010 ( -10.583 -0.000 -4.012) 11.318 2.348 ( 0.078 0.000 0.776) 0.780 2.635 ( 1.499 0.000 0.583) 1.609 2.732 ( -6.050 -0.000 -2.104) 6.405 2.769 ( 1.042 0.000 1.549) 1.867 2.974 ( 2.152 0.000 -0.197) 2.161 3.187 ( 3.371 0.000 11.290) 11.783 3.287 ( -3.797 -0.000 -0.106) 3.798 3.297 ( -1.600 -0.000 1.023) 1.899 3.396 ( 0.946 0.000 -5.927) 6.002 3.700 ( 8.506 0.000 -6.601) 10.767 3.761 ( -4.831 -0.000 2.551) 5.463 3.857 ( -0.712 -0.000 0.219) 0.745 4.296 ( 3.252 0.000 3.234) 4.586 4.317 ( 0.086 0.000 -0.207) 0.224 4.612 ( -2.428 -0.000 -3.730) 4.451 5.066 ( -0.213 -0.000 0.442) 0.491 5.297 ( -2.127 -0.000 1.256) 2.470 5.724 ( 3.057 0.000 1.554) 3.430 5.823 ( -5.712 -0.000 -2.660) 6.301 5.926 ( 0.403 0.000 0.020) 0.403 6.033 ( 0.263 0.000 0.010) 0.263 10.156 ( 0.517 0.000 0.036) 0.518 10.883 ( 0.248 0.000 0.023) 0.249 11.006 ( 0.301 0.000 -0.007) 0.301 11.615 ( -0.032 -0.000 0.000) 0.032 14.599 ( -0.417 -0.000 -0.010) 0.417 14.676 ( -0.486 -0.000 -0.081) 0.493 33.867 ( 0.870 0.000 -0.789) 1.175 34.577 ( 2.347 0.000 0.198) 2.355 ======================= Grid point 62 (36/168) ======================= q-point: ( 0.55 0.45 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( -0.000 3.888 -0.000) 3.888 1.446 ( 0.000 -1.486 0.000) 1.486 1.794 ( -0.000 1.802 -0.000) 1.802 1.848 ( 0.000 -7.052 0.000) 7.052 1.902 ( 0.000 -3.796 0.000) 3.796 2.053 ( 0.000 -9.729 0.000) 9.729 2.062 ( 0.000 -14.829 0.000) 14.829 2.406 ( 0.000 -5.145 0.000) 5.145 2.616 ( -0.000 1.892 -0.000) 1.892 2.655 ( -0.000 3.207 -0.000) 3.207 2.862 ( 0.000 -6.348 0.000) 6.348 3.096 ( 0.000 -9.264 0.000) 9.264 3.196 ( -0.000 1.794 -0.000) 1.794 3.217 ( -0.000 2.757 -0.000) 2.757 3.330 ( 0.000 -1.931 0.000) 1.931 3.389 ( 0.000 -1.206 0.000) 1.206 3.690 ( -0.000 3.572 -0.000) 3.572 3.729 ( -0.000 0.770 -0.000) 0.770 3.879 ( 0.000 -1.979 0.000) 1.979 4.312 ( -0.000 0.568 -0.000) 0.568 4.360 ( 0.000 -3.945 0.000) 3.945 4.571 ( -0.000 1.954 -0.000) 1.954 5.064 ( -0.000 0.186 -0.000) 0.186 5.266 ( -0.000 2.672 -0.000) 2.672 5.721 ( -0.000 2.368 -0.000) 2.368 5.775 ( -0.000 1.361 -0.000) 1.361 5.919 ( -0.000 1.068 -0.000) 1.068 6.046 ( 0.000 -0.833 0.000) 0.833 10.157 ( -0.000 0.062 -0.000) 0.062 10.883 ( -0.000 0.042 -0.000) 0.042 11.010 ( 0.000 -0.353 0.000) 0.353 11.620 ( 0.000 -0.621 0.000) 0.621 14.592 ( -0.000 0.527 -0.000) 0.527 14.668 ( -0.000 0.578 -0.000) 0.578 33.815 ( -0.000 5.598 -0.000) 5.598 34.517 ( -0.000 7.298 -0.000) 7.298 ======================= Grid point 125 (37/168) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( -1.183 -0.000 23.029) 23.059 0.526 ( 11.723 0.000 26.458) 28.938 0.851 ( -8.583 -0.000 42.715) 43.569 1.636 ( 2.966 0.000 -15.650) 15.929 1.712 ( -5.135 -0.000 -9.100) 10.449 2.054 ( 5.621 0.000 -3.862) 6.820 2.236 ( -4.343 -0.000 7.807) 8.934 2.382 ( 18.330 0.000 0.271) 18.332 2.523 ( 2.245 0.000 -1.195) 2.543 2.830 ( 2.160 0.000 2.329) 3.176 2.863 ( -3.736 -0.000 -3.083) 4.844 2.973 ( -5.945 -0.000 8.008) 9.973 3.153 ( -1.177 -0.000 -20.096) 20.130 3.378 ( -2.627 -0.000 0.398) 2.657 3.388 ( 2.060 0.000 0.653) 2.162 3.509 ( -0.739 -0.000 -8.774) 8.805 3.603 ( -15.161 -0.000 4.205) 15.733 3.942 ( 0.837 0.000 -6.768) 6.819 3.974 ( 0.977 0.000 -0.647) 1.172 4.098 ( 8.083 0.000 9.967) 12.833 4.317 ( -0.510 -0.000 -0.036) 0.511 4.351 ( -2.852 -0.000 1.781) 3.362 5.101 ( -0.187 -0.000 0.364) 0.409 5.349 ( -16.848 -0.000 -0.074) 16.848 5.852 ( -0.015 -0.000 0.032) 0.035 5.984 ( -0.006 -0.000 -0.044) 0.045 6.038 ( -4.307 -0.000 4.944) 6.557 6.399 ( 22.224 0.000 -3.525) 22.502 10.072 ( -2.814 -0.000 0.030) 2.814 10.827 ( 1.618 0.000 -0.263) 1.640 10.952 ( 0.034 0.000 -0.031) 0.046 11.621 ( -0.012 -0.000 -0.003) 0.012 14.573 ( -0.080 -0.000 0.004) 0.080 14.654 ( -0.364 -0.000 -0.076) 0.372 33.789 ( 16.977 0.000 0.964) 17.005 34.065 ( -10.263 -0.000 -1.185) 10.331 ======================= Grid point 126 (38/168) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( 1.292 -8.280 21.775) 23.332 0.761 ( 0.496 -13.960 18.366) 23.075 1.276 ( 4.165 -23.532 23.608) 33.592 1.557 ( -0.050 0.165 -10.304) 10.306 1.781 ( 3.903 -13.220 -12.129) 18.361 2.059 ( 2.004 0.804 -1.265) 2.503 2.356 ( 3.344 -7.092 5.564) 9.615 2.416 ( 4.300 2.617 -1.861) 5.367 2.616 ( 2.131 -7.505 -1.432) 7.932 2.800 ( -7.283 1.137 0.393) 7.382 2.845 ( 1.088 1.103 3.842) 4.143 2.954 ( -4.232 -0.570 3.983) 5.840 3.078 ( 4.919 -0.655 -16.740) 17.460 3.296 ( -3.597 3.930 -1.379) 5.503 3.430 ( 1.381 -0.458 -0.131) 1.461 3.471 ( 1.648 -0.867 -3.619) 4.070 3.514 ( -9.242 2.072 6.642) 11.568 3.883 ( 2.621 2.309 -8.745) 9.417 3.974 ( 0.431 0.781 -0.486) 1.016 4.160 ( 6.638 1.321 6.908) 9.671 4.342 ( -2.681 -0.126 3.281) 4.239 4.514 ( -1.395 -12.716 -8.614) 15.423 5.086 ( -1.333 1.037 0.432) 1.744 5.273 ( -3.077 1.773 5.651) 6.675 5.810 ( 2.939 4.585 4.044) 6.783 5.935 ( -2.261 3.412 -1.344) 4.308 6.034 ( -3.657 -0.772 4.523) 5.868 6.524 ( -0.594 -3.802 -11.456) 12.085 10.060 ( -0.194 -0.049 0.609) 0.641 10.829 ( 0.990 0.336 -0.282) 1.083 10.980 ( 0.237 -1.966 -1.232) 2.332 11.645 ( -0.507 -1.984 -1.040) 2.297 14.570 ( 0.931 0.539 -0.187) 1.093 14.651 ( 0.663 0.533 0.083) 0.854 33.736 ( -10.853 7.658 7.380) 15.195 33.876 ( 21.207 16.400 1.896) 26.875 ======================= Grid point 127 (39/168) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.010 ( 3.297 -10.171 10.081) 14.695 1.019 ( -5.927 -11.702 12.814) 18.338 1.504 ( 0.139 -9.921 -8.397) 12.998 1.876 ( 8.532 -14.187 -1.749) 16.647 2.052 ( -1.862 -0.714 2.820) 3.454 2.157 ( 6.206 -26.257 1.405) 27.017 2.343 ( 4.098 1.780 -2.771) 5.258 2.534 ( 4.383 -2.387 3.514) 6.104 2.687 ( -4.009 -0.829 -0.229) 4.100 2.749 ( -7.289 1.577 7.837) 10.819 2.898 ( 0.619 -4.138 2.673) 4.965 3.003 ( -0.200 -6.088 3.754) 7.155 3.147 ( 5.649 -6.031 -6.808) 10.707 3.219 ( -2.414 -2.912 -7.855) 8.718 3.337 ( -5.268 5.954 -0.522) 7.967 3.461 ( 0.569 1.456 0.573) 1.665 3.560 ( 2.474 -4.973 -0.339) 5.564 3.824 ( 2.316 1.351 -12.520) 12.804 3.944 ( -0.484 1.853 0.869) 2.103 4.225 ( 3.516 -1.259 6.487) 7.485 4.335 ( -0.772 1.104 2.955) 3.248 4.640 ( -2.165 -6.665 -6.303) 9.425 5.050 ( -1.034 2.020 0.222) 2.280 5.253 ( -0.019 2.487 5.807) 6.317 5.749 ( 2.723 6.214 2.260) 7.151 5.831 ( -4.131 3.769 -1.989) 5.936 6.043 ( -2.009 0.544 5.082) 5.491 6.465 ( -7.126 1.316 -9.156) 11.677 10.071 ( 0.915 -0.491 0.251) 1.069 10.833 ( 0.732 -0.178 -0.279) 0.804 11.007 ( 0.283 -1.316 -1.025) 1.691 11.668 ( -0.766 -1.447 -0.702) 1.782 14.564 ( 0.943 0.704 -0.286) 1.211 14.646 ( 0.728 0.624 0.343) 1.018 33.552 ( -1.726 10.215 7.273) 12.657 33.760 ( 13.672 11.220 -0.820) 17.705 ======================= Grid point 128 (40/168) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -1.473 -10.149 1.380) 10.348 1.344 ( -0.968 -15.727 9.461) 18.379 1.676 ( 2.192 -6.700 -2.976) 7.652 2.019 ( 7.651 -1.129 -3.287) 8.403 2.101 ( 1.975 -3.504 -4.678) 6.170 2.286 ( -3.595 -3.768 -3.225) 6.125 2.536 ( 1.996 2.048 0.595) 2.921 2.654 ( -7.913 -4.023 5.549) 10.469 2.682 ( -3.257 3.286 3.696) 5.921 2.848 ( 9.625 -18.044 8.387) 22.104 2.971 ( 1.456 -5.934 3.463) 7.024 3.090 ( 0.662 0.969 1.187) 1.669 3.173 ( -3.578 6.230 1.541) 7.348 3.212 ( -1.976 -4.922 0.938) 5.386 3.385 ( 0.238 -1.432 1.674) 2.216 3.463 ( 4.477 -10.817 -12.434) 17.078 3.672 ( 1.446 -3.741 -5.574) 6.867 3.780 ( 3.088 -2.893 -10.772) 11.573 3.949 ( -0.582 -1.862 3.436) 3.951 4.307 ( 0.050 -4.686 3.805) 6.037 4.341 ( 2.462 -1.017 3.853) 4.684 4.687 ( -2.403 -2.594 -2.901) 4.573 5.004 ( 0.109 2.483 -0.110) 2.488 5.218 ( -1.131 3.435 4.276) 5.600 5.645 ( 1.832 6.406 -1.977) 6.950 5.745 ( -2.184 2.375 -0.322) 3.242 6.010 ( -2.094 3.792 4.465) 6.221 6.310 ( -8.777 5.734 -5.480) 11.829 10.090 ( 1.116 -0.663 0.059) 1.299 10.843 ( 0.671 -0.448 -0.211) 0.834 11.025 ( 0.319 -0.865 -0.814) 1.230 11.682 ( -0.703 -0.958 -0.272) 1.220 14.557 ( 0.580 0.570 -0.147) 0.826 14.642 ( 0.446 0.410 0.269) 0.663 33.393 ( 0.854 9.160 3.129) 9.717 33.664 ( 10.286 8.336 -0.307) 13.244 ======================= Grid point 129 (41/168) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( 0.663 -12.539 3.308) 12.985 1.638 ( 2.019 -11.760 4.497) 12.752 1.711 ( -2.025 -0.556 -0.831) 2.258 2.072 ( 12.957 4.944 0.711) 13.886 2.175 ( -2.136 -8.598 -9.886) 13.274 2.305 ( -5.382 -0.191 4.187) 6.821 2.526 ( 4.118 0.984 -1.723) 4.571 2.630 ( -2.976 1.285 9.240) 9.792 2.669 ( -5.839 -2.950 0.786) 6.589 2.961 ( -0.488 1.027 3.712) 3.882 3.043 ( -0.600 3.789 -2.152) 4.399 3.071 ( -1.191 1.365 4.370) 4.731 3.137 ( -1.520 5.485 -5.203) 7.711 3.251 ( -0.933 -0.240 0.363) 1.029 3.458 ( 3.821 -8.112 -3.821) 9.747 3.649 ( 3.399 -7.914 -4.574) 9.752 3.802 ( 4.163 -10.915 -1.645) 11.797 3.833 ( -0.253 -4.575 -7.017) 8.381 3.976 ( -0.716 -0.612 3.059) 3.200 4.433 ( 1.801 -5.902 4.867) 7.859 4.533 ( 3.836 -15.564 1.384) 16.090 4.676 ( -2.719 1.084 -0.149) 2.931 4.973 ( 2.041 1.210 -0.435) 2.412 5.137 ( -2.568 5.460 1.051) 6.125 5.551 ( 3.060 4.052 -1.904) 5.423 5.710 ( -0.761 0.245 0.110) 0.807 5.917 ( -2.330 5.788 2.394) 6.682 6.077 ( -9.301 10.654 -1.985) 14.281 10.110 ( 0.862 -0.583 0.001) 1.040 10.855 ( 0.549 -0.409 -0.102) 0.692 11.037 ( 0.295 -0.542 -0.717) 0.946 11.691 ( -0.499 -0.548 -0.035) 0.742 14.551 ( 0.246 0.341 0.026) 0.421 14.639 ( 0.154 0.176 -0.041) 0.238 33.264 ( 1.019 6.402 1.260) 6.603 33.602 ( 6.929 5.245 -0.143) 8.691 ======================= Grid point 130 (42/168) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.621 ( 1.515 -9.009 5.385) 10.604 1.696 ( 2.963 0.059 1.683) 3.408 1.864 ( 0.921 -7.924 2.356) 8.317 2.047 ( 4.546 4.663 2.820) 7.097 2.155 ( -4.587 6.697 3.525) 8.850 2.331 ( 3.121 -4.295 -7.585) 9.258 2.517 ( -1.272 0.158 -1.891) 2.285 2.665 ( -2.157 -1.585 8.430) 8.844 2.708 ( -3.938 -4.843 -2.064) 6.574 2.894 ( -4.084 5.958 -0.448) 7.237 2.932 ( -0.499 6.940 -7.025) 9.888 3.025 ( 3.437 -0.547 1.929) 3.979 3.076 ( -1.102 -0.262 3.097) 3.298 3.229 ( -2.738 0.615 -0.534) 2.856 3.509 ( -0.098 -3.253 -7.592) 8.260 3.760 ( 2.154 3.502 -7.140) 8.239 3.888 ( 2.367 -11.122 -3.130) 11.794 3.936 ( 3.075 2.615 5.512) 6.832 4.092 ( -0.188 -7.440 1.555) 7.603 4.573 ( 0.204 -2.810 3.079) 4.173 4.617 ( -2.197 1.745 1.419) 3.144 4.827 ( 3.431 -10.740 0.208) 11.277 4.989 ( -2.833 8.135 -1.112) 8.686 5.007 ( 2.458 -2.999 -1.057) 4.019 5.573 ( 6.086 -4.636 0.346) 7.659 5.719 ( -0.049 -1.166 -0.322) 1.210 5.781 ( -7.960 9.834 -0.863) 12.681 5.814 ( -2.071 6.663 2.185) 7.312 10.122 ( 0.325 -0.253 0.003) 0.412 10.864 ( 0.329 -0.148 -0.015) 0.361 11.043 ( 0.244 -0.279 -0.652) 0.750 11.695 ( -0.186 -0.216 0.070) 0.294 14.548 ( 0.017 0.171 0.097) 0.197 14.637 ( -0.005 0.088 -0.329) 0.341 33.192 ( 0.119 2.370 0.942) 2.553 33.570 ( 2.533 1.836 -0.366) 3.150 ======================= Grid point 131 (43/168) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 3.871 5.066 5.307) 8.295 1.807 ( 2.605 -2.559 6.394) 7.363 1.923 ( -2.144 2.451 3.435) 4.733 1.954 ( -0.793 9.106 2.476) 9.469 2.081 ( -1.803 -4.530 0.056) 4.876 2.349 ( 2.857 3.033 -5.235) 6.691 2.508 ( -2.275 -1.311 -7.017) 7.492 2.635 ( -5.923 1.286 5.519) 8.197 2.737 ( -1.380 -0.295 -0.980) 1.718 2.814 ( 0.421 -1.035 -5.344) 5.459 2.855 ( 2.583 1.366 3.352) 4.447 3.081 ( -3.416 -0.308 -0.053) 3.430 3.099 ( 1.539 -3.794 1.711) 4.437 3.234 ( -2.229 -4.823 -0.018) 5.313 3.561 ( 1.083 -5.006 -8.744) 10.134 3.676 ( 2.911 4.231 -4.147) 6.601 3.839 ( 2.290 12.882 -0.787) 13.108 4.048 ( -0.863 -5.706 1.606) 5.991 4.126 ( -3.022 2.122 2.724) 4.589 4.547 ( 0.400 8.264 1.634) 8.434 4.603 ( 1.945 -1.989 1.292) 3.068 4.781 ( -2.652 12.050 -0.592) 12.353 4.976 ( 0.692 -1.642 0.208) 1.794 5.045 ( -2.414 -3.160 -1.416) 4.221 5.579 ( -5.030 2.656 0.438) 5.705 5.716 ( 1.692 0.217 0.397) 1.752 5.760 ( 0.817 -2.645 -0.938) 2.923 5.856 ( 8.191 -12.090 1.923) 14.729 10.123 ( -0.322 0.189 0.018) 0.374 10.865 ( 0.049 0.189 0.010) 0.196 11.045 ( 0.206 0.006 -0.624) 0.657 11.697 ( 0.198 0.066 0.106) 0.234 14.546 ( -0.110 0.004 0.063) 0.127 14.633 ( -0.024 0.082 -0.405) 0.414 33.185 ( -1.437 -1.594 0.799) 2.290 33.570 ( -2.307 -2.035 -0.354) 3.097 ======================= Grid point 132 (44/168) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 4.067 16.149 6.196) 17.768 1.639 ( -5.078 15.079 5.561) 16.855 1.867 ( 0.145 3.188 2.534) 4.075 1.964 ( -8.739 -5.322 -2.598) 10.557 2.125 ( 4.429 3.178 -6.910) 8.801 2.277 ( -0.605 -2.215 2.909) 3.706 2.488 ( -1.351 -1.274 -2.784) 3.347 2.685 ( 1.831 3.918 3.303) 5.442 2.704 ( -2.034 -4.353 3.381) 5.875 2.790 ( 0.318 0.712 -4.652) 4.717 2.928 ( 1.858 -2.201 5.249) 5.987 3.051 ( -0.906 0.217 -2.043) 2.246 3.188 ( -0.800 -4.273 -0.169) 4.350 3.340 ( -1.947 -5.173 2.074) 5.904 3.438 ( -3.341 21.029 -3.073) 21.513 3.573 ( 4.063 3.540 -6.067) 8.115 3.699 ( 0.870 -4.018 -5.184) 6.616 4.055 ( -1.701 5.404 1.207) 5.793 4.101 ( -1.826 -0.163 -0.470) 1.892 4.344 ( -0.003 11.922 3.255) 12.358 4.486 ( -3.576 15.380 2.258) 15.951 4.700 ( 2.093 -4.308 0.776) 4.852 4.965 ( -0.195 -0.212 -1.397) 1.426 5.092 ( -0.062 -2.034 0.315) 2.059 5.571 ( -3.040 -3.137 -1.532) 4.629 5.747 ( 1.625 -2.129 1.762) 3.206 5.825 ( 1.140 -4.245 -0.549) 4.430 6.173 ( 10.505 -12.186 0.374) 16.093 10.111 ( -0.897 0.528 0.040) 1.042 10.858 ( -0.215 0.442 -0.032) 0.492 11.040 ( 0.223 0.342 -0.660) 0.776 11.697 ( 0.603 0.343 0.079) 0.698 14.547 ( -0.184 -0.204 -0.064) 0.282 14.631 ( 0.099 -0.031 -0.216) 0.240 33.226 ( -3.299 -4.055 0.438) 5.246 33.612 ( -6.741 -6.274 0.123) 9.210 ======================= Grid point 133 (45/168) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 1.181 23.382 0.128) 23.412 1.366 ( -7.782 15.499 12.067) 21.128 1.769 ( -7.035 3.203 -1.165) 7.817 1.954 ( -0.153 0.162 -7.073) 7.076 2.046 ( 0.353 3.163 -6.159) 6.932 2.422 ( -3.706 2.804 1.309) 4.828 2.432 ( 0.545 -2.137 3.223) 3.905 2.603 ( -0.470 6.728 4.212) 7.952 2.670 ( -0.068 13.227 -0.711) 13.247 2.800 ( -0.337 -1.078 4.178) 4.328 2.931 ( -1.770 4.683 -0.285) 5.014 2.976 ( -0.983 5.143 3.294) 6.186 3.105 ( 5.070 0.317 -2.067) 5.484 3.278 ( -0.651 -3.060 -0.245) 3.138 3.448 ( -2.583 -4.080 3.913) 6.215 3.541 ( 4.731 2.054 -4.397) 6.777 3.710 ( -3.012 1.238 -6.620) 7.378 3.916 ( -0.167 4.232 -0.948) 4.340 4.056 ( -0.645 1.769 -6.404) 6.675 4.098 ( -4.854 12.466 1.531) 13.466 4.353 ( -0.218 1.810 7.488) 7.706 4.773 ( 2.956 -1.142 -0.647) 3.235 4.981 ( 2.042 -1.254 -1.745) 2.964 5.136 ( -0.451 -2.654 3.858) 4.704 5.601 ( -2.423 -3.085 -2.745) 4.788 5.816 ( 1.621 -3.448 0.589) 3.856 5.916 ( 1.001 -3.923 1.895) 4.470 6.430 ( 11.044 -7.356 -2.162) 13.445 10.093 ( -1.276 0.562 0.126) 1.400 10.846 ( -0.403 0.506 -0.130) 0.660 11.030 ( 0.365 0.680 -0.775) 1.094 11.694 ( 0.995 0.655 -0.097) 1.195 14.550 ( -0.230 -0.402 -0.287) 0.545 14.635 ( 0.268 -0.281 0.138) 0.413 33.280 ( -4.637 -4.579 0.939) 6.584 33.703 ( -10.662 -10.165 0.702) 14.748 ======================= Grid point 134 (46/168) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.763 ( -0.182 23.475 1.164) 23.504 1.040 ( -11.412 17.883 13.732) 25.271 1.689 ( -4.972 2.730 -1.927) 5.990 1.737 ( -3.078 27.717 5.625) 28.449 1.941 ( -1.080 0.273 -8.171) 8.246 2.171 ( -5.132 7.755 -2.389) 9.602 2.324 ( -2.724 8.426 -6.401) 10.927 2.518 ( -1.621 7.480 4.865) 9.069 2.651 ( 3.881 -5.287 8.486) 10.725 2.788 ( 1.377 5.262 -1.642) 5.681 2.876 ( -0.666 3.335 0.693) 3.471 2.949 ( -0.010 -0.572 6.316) 6.342 3.148 ( 3.264 -1.686 -2.830) 4.638 3.323 ( 0.718 -1.158 1.501) 2.027 3.453 ( 0.872 5.197 -1.939) 5.615 3.489 ( -2.102 -1.174 -0.493) 2.457 3.683 ( -4.558 -4.618 -10.850) 12.642 3.877 ( -3.210 0.779 5.623) 6.522 3.959 ( 0.650 0.186 -2.383) 2.477 3.992 ( 0.923 2.759 -3.347) 4.434 4.365 ( -0.776 0.258 4.892) 4.960 4.759 ( 4.530 4.495 -6.243) 8.927 5.026 ( 2.294 -2.256 0.111) 3.220 5.231 ( -2.423 -6.013 9.369) 11.393 5.623 ( -1.127 -2.202 -2.518) 3.530 5.897 ( 0.991 -3.957 -0.231) 4.086 5.987 ( 0.512 -1.822 3.894) 4.330 6.571 ( 12.462 -0.330 -7.470) 14.533 10.077 ( -1.509 0.103 0.392) 1.562 10.834 ( -0.506 0.406 -0.272) 0.704 11.014 ( 0.705 1.040 -1.126) 1.687 11.685 ( 1.343 1.120 -0.719) 1.891 14.556 ( -0.209 -0.545 -0.430) 0.725 14.646 ( 0.204 -0.477 0.417) 0.665 33.340 ( -3.019 -4.352 4.986) 7.274 33.825 ( -15.682 -12.980 1.323) 20.400 ======================= Grid point 135 (47/168) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.427 ( 9.301 16.107 14.458) 23.558 0.689 ( -9.509 18.744 16.889) 26.963 1.104 ( -13.363 31.084 25.706) 42.492 1.680 ( -3.141 -2.305 -8.124) 9.010 1.843 ( -0.578 7.239 -9.206) 11.726 2.033 ( 3.853 2.233 -4.174) 6.104 2.242 ( 1.168 -0.048 0.079) 1.171 2.373 ( -2.769 8.525 6.872) 11.294 2.607 ( 2.015 9.567 -2.033) 9.986 2.783 ( 2.353 -2.045 5.495) 6.318 2.875 ( -1.938 -1.765 -1.260) 2.908 2.970 ( -3.149 -0.119 6.883) 7.570 3.190 ( -2.116 -4.337 -8.935) 10.155 3.345 ( -0.276 -2.678 -1.267) 2.976 3.401 ( 1.353 2.518 -0.068) 2.859 3.488 ( 0.207 -2.275 -6.133) 6.545 3.658 ( -12.331 -3.499 -1.997) 12.972 3.915 ( 3.060 -1.543 -7.695) 8.424 3.956 ( 0.863 -0.876 4.805) 4.960 3.999 ( 2.728 -0.449 6.803) 7.343 4.364 ( -1.833 0.378 2.230) 2.912 4.599 ( 4.419 13.605 -12.422) 18.946 5.081 ( 1.638 -1.496 0.457) 2.265 5.381 ( -14.439 -10.859 4.949) 18.732 5.684 ( 6.622 -4.269 6.255) 10.060 5.957 ( 0.028 -2.161 -1.103) 2.426 6.029 ( -0.853 -0.845 5.352) 5.485 6.522 ( 17.051 13.440 -14.739) 26.241 10.075 ( -2.063 -1.069 0.544) 2.386 10.823 ( -0.230 0.248 -0.234) 0.411 10.988 ( 0.835 2.024 -1.851) 2.866 11.659 ( 1.026 2.348 -1.889) 3.183 14.565 ( -0.145 -0.739 -0.107) 0.760 14.655 ( -0.513 -0.389 0.247) 0.690 33.498 ( 11.975 -7.352 14.477) 20.175 33.957 ( -25.193 -17.019 2.870) 30.538 ======================= Grid point 137 (48/168) ======================= q-point: ( 0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( 7.603 0.000 20.070) 21.462 0.719 ( -6.404 -0.000 27.865) 28.591 1.278 ( 6.469 0.000 17.954) 19.084 1.561 ( 6.190 0.000 -18.149) 19.176 1.571 ( 5.644 0.000 -3.632) 6.712 2.077 ( 0.084 0.000 1.731) 1.733 2.253 ( -1.838 -0.000 7.175) 7.406 2.498 ( 3.645 0.000 -11.504) 12.067 2.538 ( 1.060 0.000 -0.746) 1.296 2.747 ( -9.199 -0.000 -0.467) 9.210 2.878 ( -2.869 -0.000 7.162) 7.715 2.965 ( 6.366 0.000 -6.119) 8.830 3.058 ( 7.653 0.000 -14.354) 16.267 3.299 ( -7.028 -0.000 -0.341) 7.036 3.432 ( 1.771 0.000 1.091) 2.080 3.454 ( -0.568 -0.000 -2.851) 2.907 3.512 ( -6.700 -0.000 8.375) 10.726 3.904 ( 2.388 0.000 -8.590) 8.915 3.971 ( -0.804 -0.000 -0.499) 0.946 4.233 ( 0.778 0.000 -1.851) 2.007 4.312 ( -0.121 -0.000 -0.120) 0.170 4.377 ( 5.006 0.000 8.222) 9.627 5.087 ( -1.523 -0.000 0.881) 1.760 5.311 ( 2.080 0.000 5.994) 6.345 5.859 ( 0.792 0.000 0.038) 0.793 5.968 ( -10.068 -0.000 3.006) 10.508 5.987 ( 0.573 0.000 -0.038) 0.575 6.434 ( -4.040 -0.000 -6.420) 7.585 10.064 ( 0.647 0.000 0.718) 0.967 10.843 ( 1.153 0.000 -0.893) 1.458 10.957 ( 0.601 0.000 -0.034) 0.602 11.620 ( -0.077 -0.000 -0.002) 0.077 14.583 ( 1.316 0.000 -0.240) 1.338 14.671 ( 2.154 0.000 0.148) 2.160 33.770 ( -5.255 -0.000 6.188) 8.118 34.180 ( 13.623 0.000 -9.796) 16.779 ======================= Grid point 138 (49/168) ======================= q-point: ( 0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -2.663 -7.103 21.347) 22.655 0.980 ( 6.066 -7.643 13.122) 16.353 1.258 ( -4.368 -6.443 -13.240) 15.359 1.673 ( 7.720 -12.558 -9.229) 17.392 1.844 ( 14.523 -14.197 10.527) 22.876 2.071 ( -0.931 1.619 4.143) 4.544 2.374 ( -1.750 -1.044 -3.087) 3.699 2.446 ( 3.809 -7.757 0.934) 8.692 2.615 ( -3.470 -3.311 -0.854) 4.872 2.694 ( -6.846 -3.165 2.784) 8.039 2.880 ( -2.566 -0.067 7.334) 7.770 2.980 ( 7.878 1.044 -3.857) 8.833 3.063 ( 9.684 -1.490 -13.895) 17.002 3.216 ( -6.375 2.707 -0.030) 6.926 3.394 ( -4.898 3.683 -0.953) 6.202 3.470 ( 0.406 -1.217 1.592) 2.045 3.512 ( -0.380 -1.323 4.022) 4.251 3.835 ( 1.619 3.624 -10.037) 10.793 3.970 ( -0.505 0.263 -0.070) 0.573 4.211 ( -1.866 -0.923 0.299) 2.103 4.388 ( 0.806 -2.613 1.983) 3.378 4.475 ( 4.037 -4.436 0.183) 6.001 5.071 ( -1.193 1.003 0.681) 1.700 5.338 ( 3.039 2.553 6.553) 7.661 5.844 ( -7.921 3.524 -2.056) 8.910 5.858 ( 0.368 2.522 2.045) 3.268 6.024 ( -1.466 -2.446 2.529) 3.812 6.368 ( -8.516 -0.546 -7.158) 11.138 10.076 ( 1.422 -0.132 0.509) 1.516 10.841 ( 1.051 0.400 -0.495) 1.228 10.978 ( 0.548 -1.470 -0.536) 1.658 11.633 ( -0.416 -1.312 -0.213) 1.393 14.585 ( 1.283 0.688 -0.297) 1.485 14.675 ( 1.723 1.137 0.480) 2.119 33.714 ( -1.253 5.966 4.687) 7.690 34.098 ( 13.050 12.294 -4.373) 18.455 ======================= Grid point 139 (50/168) ======================= q-point: ( 0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( 0.731 -4.219 2.813) 5.123 1.119 ( -0.429 -12.009 10.577) 16.008 1.498 ( 5.451 -13.722 -2.104) 14.915 1.925 ( 3.380 -10.734 -10.066) 15.099 2.051 ( 1.599 -0.612 1.734) 2.436 2.214 ( 4.585 -7.867 -2.002) 9.323 2.418 ( 4.789 -10.595 4.439) 12.445 2.539 ( -9.002 -1.027 0.917) 9.107 2.696 ( -4.794 -2.800 6.490) 8.541 2.771 ( 6.050 -6.998 7.876) 12.149 2.929 ( 0.980 -2.656 1.840) 3.376 3.041 ( 2.544 -5.490 -1.274) 6.183 3.125 ( -2.679 2.977 1.144) 4.165 3.195 ( 7.983 -9.544 -7.925) 14.752 3.274 ( -4.687 4.099 2.057) 6.557 3.474 ( 1.558 1.983 -2.067) 3.261 3.578 ( 0.854 -4.871 -1.671) 5.220 3.735 ( 1.126 2.210 -12.399) 12.645 3.955 ( -0.444 0.821 3.070) 3.209 4.236 ( -2.545 -2.580 1.136) 3.798 4.419 ( 3.678 1.818 3.936) 5.686 4.575 ( -0.592 -5.525 -3.161) 6.393 5.041 ( -0.474 1.697 0.280) 1.784 5.309 ( 0.061 4.723 5.670) 7.380 5.710 ( -4.756 3.252 -4.394) 7.246 5.807 ( -0.039 4.415 1.986) 4.841 6.052 ( -2.177 0.383 4.036) 4.601 6.271 ( -9.598 0.733 -6.129) 11.412 10.093 ( 1.624 -0.268 0.253) 1.665 10.844 ( 1.042 -0.046 -0.232) 1.068 11.004 ( 0.436 -1.227 -0.719) 1.487 11.654 ( -0.657 -1.364 -0.133) 1.520 14.576 ( 0.878 0.956 -0.247) 1.322 14.663 ( 0.782 1.224 0.393) 1.505 33.584 ( 1.076 9.202 1.666) 9.414 33.950 ( 12.747 12.554 -0.399) 17.896 ======================= Grid point 140 (51/168) ======================= q-point: ( 0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 5.165 -10.092 4.854) 12.333 1.396 ( -2.255 -13.907 6.837) 15.660 1.700 ( 3.846 -4.799 -0.849) 6.208 1.969 ( -1.592 -4.634 -6.823) 8.400 2.189 ( 12.489 -3.938 -8.577) 15.654 2.281 ( 0.056 0.049 5.997) 5.997 2.498 ( -8.268 -3.153 1.746) 9.020 2.629 ( 0.830 -2.841 2.578) 3.925 2.671 ( -5.038 1.506 8.599) 10.079 2.995 ( 0.568 -0.188 4.879) 4.916 3.020 ( -1.007 -1.086 -5.218) 5.424 3.050 ( -0.087 -9.485 -0.671) 9.509 3.153 ( -3.270 2.337 3.675) 5.446 3.220 ( 2.127 -2.430 0.922) 3.359 3.405 ( 3.237 1.683 -8.773) 9.501 3.464 ( 5.674 -15.303 3.343) 16.660 3.613 ( 0.790 -0.667 -9.841) 9.895 3.766 ( 3.995 -6.037 -4.941) 8.765 3.977 ( -0.203 -1.262 3.699) 3.913 4.309 ( -0.211 -8.781 1.054) 8.847 4.435 ( 2.637 0.163 4.221) 4.980 4.634 ( -2.018 -2.922 -1.610) 3.900 5.011 ( 0.903 1.647 -0.210) 1.890 5.221 ( -2.758 5.425 2.473) 6.569 5.623 ( 0.016 2.816 -3.578) 4.553 5.735 ( -0.614 3.188 1.466) 3.562 5.999 ( -3.621 4.286 1.898) 5.924 6.142 ( -8.898 4.575 -1.931) 10.190 10.110 ( 1.425 -0.303 0.097) 1.461 10.854 ( 0.917 -0.268 -0.080) 0.959 11.023 ( 0.337 -0.834 -0.726) 1.156 11.671 ( -0.640 -1.074 0.015) 1.250 14.564 ( 0.457 0.754 -0.111) 0.889 14.649 ( 0.171 0.764 0.004) 0.783 33.425 ( 1.762 9.235 0.292) 9.406 33.820 ( 10.415 10.982 0.472) 15.143 ======================= Grid point 141 (52/168) ======================= q-point: ( 0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.478 ( 3.788 -10.320 7.883) 13.527 1.617 ( -6.028 -10.262 2.616) 12.186 1.784 ( 7.937 -2.282 2.543) 8.641 2.064 ( -1.280 -8.404 -9.029) 12.401 2.218 ( 3.870 4.837 2.475) 6.671 2.286 ( 0.481 0.260 -0.692) 0.882 2.537 ( -0.924 -3.448 -2.221) 4.205 2.640 ( 0.339 2.319 6.781) 7.174 2.671 ( -2.761 0.621 8.915) 9.353 2.916 ( -5.350 1.946 -3.776) 6.831 3.022 ( -1.293 4.538 -5.931) 7.579 3.066 ( -2.670 1.502 1.503) 3.412 3.097 ( 2.719 1.523 0.005) 3.117 3.227 ( -1.317 1.133 -0.836) 1.928 3.438 ( 0.318 -1.378 -5.278) 5.464 3.663 ( 3.980 -10.712 -7.073) 13.439 3.767 ( -1.366 -4.312 -4.054) 6.074 3.904 ( 9.098 -11.133 1.519) 14.457 4.008 ( -0.316 -0.881 5.318) 5.399 4.488 ( 0.532 -5.841 2.867) 6.529 4.602 ( 3.432 -15.007 1.462) 15.464 4.634 ( -2.527 0.204 -0.233) 2.546 4.999 ( 2.071 0.385 -0.936) 2.305 5.098 ( -2.695 6.211 -0.183) 6.773 5.579 ( 2.693 1.076 -1.099) 3.102 5.708 ( -0.252 0.194 0.772) 0.835 5.866 ( -6.216 6.574 -1.295) 9.140 5.956 ( -5.924 8.912 2.030) 10.892 10.123 ( 0.948 -0.122 0.037) 0.957 10.864 ( 0.661 -0.185 -0.002) 0.687 11.034 ( 0.256 -0.534 -0.678) 0.900 11.684 ( -0.438 -0.755 0.086) 0.876 14.555 ( 0.131 0.463 0.020) 0.482 14.639 ( -0.009 0.328 -0.307) 0.449 33.288 ( 1.235 6.907 0.427) 7.030 33.702 ( 6.462 8.712 0.090) 10.847 ======================= Grid point 142 (53/168) ======================= q-point: (-0.45 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -7.110 -6.779 2.880) 10.237 1.743 ( 2.325 -4.880 6.370) 8.355 1.935 ( 7.767 -5.590 1.097) 9.632 2.044 ( -5.598 5.684 4.745) 9.282 2.222 ( 5.936 4.398 1.825) 7.610 2.291 ( 0.400 -6.105 -8.908) 10.806 2.513 ( 0.551 5.250 3.153) 6.149 2.619 ( -5.364 3.019 -2.727) 6.732 2.670 ( -3.144 -2.326 2.231) 4.502 2.835 ( 1.114 0.650 -5.188) 5.346 2.914 ( -0.423 4.061 2.802) 4.952 3.057 ( -2.215 0.479 -0.901) 2.439 3.099 ( 3.330 -0.327 2.346) 4.086 3.184 ( -2.156 0.918 0.651) 2.432 3.439 ( -0.006 -3.544 -7.972) 8.724 3.738 ( 2.395 2.315 -5.855) 6.736 3.883 ( 0.855 -11.089 -3.097) 11.545 4.028 ( 2.609 3.374 5.220) 6.741 4.115 ( 1.339 -3.666 1.643) 4.234 4.568 ( -3.265 1.228 1.218) 3.695 4.632 ( 2.035 -4.386 1.527) 5.070 4.867 ( 1.741 -10.203 -0.605) 10.368 4.948 ( -1.524 8.509 -0.046) 8.644 5.009 ( -0.164 0.571 -1.467) 1.583 5.638 ( -4.681 4.395 0.357) 6.431 5.681 ( 3.135 -4.518 0.026) 5.499 5.728 ( 0.030 -0.698 0.235) 0.737 5.804 ( -1.463 4.299 1.173) 4.690 10.127 ( 0.336 0.261 0.017) 0.426 10.869 ( 0.330 0.093 -0.004) 0.343 11.041 ( 0.229 -0.279 -0.618) 0.716 11.694 ( -0.132 -0.478 0.096) 0.505 14.549 ( -0.054 0.252 0.086) 0.272 14.633 ( 0.027 0.125 -0.388) 0.408 33.201 ( 0.027 3.308 0.817) 3.407 33.600 ( 1.893 5.499 -0.328) 5.825 ======================= Grid point 143 (54/168) ======================= q-point: (-0.36 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( -9.601 -4.248 -1.687) 10.634 1.788 ( -0.685 5.400 4.731) 7.212 1.924 ( -4.465 5.537 6.698) 9.771 2.049 ( 7.278 8.316 -4.267) 11.846 2.140 ( 4.720 0.603 6.515) 8.068 2.316 ( 2.243 3.151 -7.687) 8.605 2.451 ( -2.462 0.757 0.896) 2.727 2.567 ( -3.648 -6.870 0.381) 7.788 2.734 ( -0.423 -4.397 0.019) 4.417 2.781 ( 1.085 5.127 -1.007) 5.336 2.936 ( 0.362 -3.083 4.763) 5.685 3.000 ( -2.976 0.695 -1.670) 3.482 3.158 ( 2.544 -0.353 2.080) 3.305 3.213 ( -0.948 -5.562 0.251) 5.647 3.501 ( 1.436 -5.545 -8.119) 9.936 3.692 ( 3.683 2.600 -3.963) 6.002 3.858 ( 1.111 18.684 -0.251) 18.719 4.031 ( -1.362 -5.156 -1.273) 5.483 4.110 ( -2.500 1.479 2.242) 3.669 4.585 ( 1.793 3.762 2.736) 4.985 4.632 ( 0.538 1.253 1.287) 1.875 4.739 ( -2.786 13.300 0.105) 13.589 4.953 ( -2.914 0.715 -1.448) 3.332 5.027 ( 1.169 -5.746 -0.153) 5.865 5.511 ( -4.202 0.943 -0.157) 4.309 5.736 ( 0.521 -0.122 0.498) 0.731 5.767 ( 0.776 -2.599 0.311) 2.730 5.981 ( 6.941 -15.075 -0.065) 16.596 10.119 ( -0.223 0.679 0.001) 0.714 10.865 ( 0.026 0.410 -0.070) 0.416 11.043 ( 0.260 0.019 -0.614) 0.667 11.701 ( 0.179 -0.219 0.047) 0.287 14.545 ( -0.126 0.085 0.076) 0.170 14.631 ( 0.147 0.019 -0.241) 0.282 33.173 ( -1.245 -0.254 1.013) 1.625 33.533 ( -2.170 1.316 -0.336) 2.560 ======================= Grid point 144 (55/168) ======================= q-point: (-0.27 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -6.446 12.758 4.208) 14.901 1.664 ( 3.901 15.467 3.988) 16.442 1.770 ( -5.999 4.361 -5.166) 9.038 1.836 ( -8.056 1.832 -2.475) 8.625 2.185 ( 11.247 4.769 -6.149) 13.677 2.380 ( 3.421 -6.500 11.701) 13.815 2.419 ( -4.461 0.990 -2.876) 5.399 2.690 ( -0.683 -4.438 -0.204) 4.495 2.692 ( -2.440 2.515 -1.705) 3.897 2.804 ( 1.392 -2.019 4.701) 5.303 3.000 ( 0.851 -0.120 4.365) 4.449 3.028 ( -1.255 -4.558 2.068) 5.160 3.178 ( 1.028 0.862 -1.254) 1.836 3.312 ( -3.174 -6.105 -1.777) 7.106 3.392 ( -0.029 22.604 -2.037) 22.696 3.594 ( 3.988 -0.168 -1.885) 4.414 3.679 ( 1.884 -0.283 -3.241) 3.760 4.020 ( -0.823 4.963 -5.358) 7.349 4.067 ( -1.235 2.353 -1.162) 2.900 4.364 ( -2.328 16.368 3.625) 16.926 4.465 ( -2.103 10.277 2.992) 10.909 4.725 ( 0.057 -4.873 1.440) 5.081 4.958 ( 1.326 -1.832 -2.477) 3.354 5.105 ( 0.430 -2.558 2.036) 3.297 5.516 ( -2.050 -3.224 -1.640) 4.158 5.766 ( 0.374 -2.433 -0.601) 2.534 5.851 ( 0.977 -4.809 2.740) 5.620 6.293 ( 6.343 -13.126 -2.125) 14.732 10.101 ( -0.556 0.920 0.001) 1.075 10.854 ( -0.151 0.619 -0.166) 0.658 11.039 ( 0.336 0.348 -0.693) 0.845 11.704 ( 0.387 0.066 -0.117) 0.410 14.544 ( -0.096 -0.083 -0.036) 0.132 14.633 ( 0.212 -0.158 -0.018) 0.265 33.196 ( -1.831 -2.730 1.786) 3.740 33.524 ( -4.853 -3.272 -0.104) 5.854 ======================= Grid point 145 (56/168) ======================= q-point: (-0.18 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.312 23.227 1.889) 23.306 1.344 ( -8.156 17.024 7.977) 20.493 1.673 ( -2.434 3.044 -1.658) 4.235 1.843 ( -0.857 -4.726 -4.733) 6.743 2.145 ( 12.772 6.945 -3.403) 14.931 2.282 ( -7.403 8.396 -2.479) 11.465 2.563 ( 1.573 5.088 9.760) 11.118 2.612 ( -2.772 0.734 4.012) 4.931 2.663 ( -1.027 12.665 0.931) 12.741 2.765 ( -3.323 1.986 -2.622) 4.676 2.940 ( 0.634 0.077 2.484) 2.565 2.998 ( -1.467 3.217 4.382) 5.630 3.168 ( 4.947 0.641 -2.660) 5.653 3.271 ( -0.677 -3.851 3.391) 5.176 3.397 ( -4.300 -6.822 -1.767) 8.255 3.597 ( 0.966 9.334 -3.658) 10.071 3.622 ( 2.632 2.371 -4.548) 5.765 3.891 ( 2.900 2.006 -10.156) 10.750 3.977 ( -3.788 4.483 0.103) 5.870 4.106 ( 0.766 8.983 4.679) 10.158 4.381 ( -2.542 1.333 3.925) 4.863 4.784 ( 0.148 -0.911 -2.181) 2.368 4.999 ( 2.185 -2.294 -1.710) 3.601 5.170 ( -1.108 -3.069 5.510) 6.403 5.566 ( 0.600 -3.463 -0.806) 3.606 5.822 ( -0.076 -3.894 -1.524) 4.183 5.956 ( 0.176 -3.859 4.516) 5.943 6.516 ( 4.568 -8.294 -5.630) 11.016 10.080 ( -0.590 0.841 0.077) 1.030 10.840 ( -0.150 0.651 -0.263) 0.718 11.029 ( 0.449 0.650 -0.892) 1.191 11.701 ( 0.363 0.442 -0.543) 0.788 14.547 ( 0.117 -0.272 -0.232) 0.376 14.639 ( -0.019 -0.350 0.041) 0.353 33.267 ( -0.283 -4.775 5.040) 6.948 33.578 ( -5.863 -6.663 0.030) 8.875 ======================= Grid point 146 (57/168) ======================= q-point: (-0.09 0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 4.924 18.642 9.375) 21.440 1.011 ( -8.754 16.881 13.972) 23.597 1.600 ( -3.015 1.377 -6.553) 7.344 1.775 ( 1.259 26.953 5.642) 27.566 1.957 ( 8.304 8.133 3.093) 12.028 2.118 ( -0.757 7.652 -2.936) 8.230 2.284 ( 4.098 3.906 -3.153) 6.480 2.524 ( -2.312 6.000 2.442) 6.878 2.733 ( 0.625 -0.303 -1.508) 1.661 2.772 ( -4.614 -3.708 7.182) 9.307 2.875 ( -0.640 7.206 1.865) 7.470 2.983 ( -1.634 1.046 4.879) 5.251 3.146 ( 2.028 2.097 -5.370) 6.111 3.312 ( -2.630 2.227 -2.919) 4.517 3.408 ( 1.754 -0.110 -7.911) 8.104 3.488 ( -5.699 -4.519 3.157) 7.929 3.534 ( 0.402 4.640 -4.680) 6.602 3.874 ( 1.837 -1.130 -6.426) 6.778 3.951 ( 1.090 -1.352 -3.089) 3.543 4.069 ( 4.695 1.507 9.907) 11.066 4.361 ( -3.300 0.328 2.094) 3.922 4.726 ( -0.108 5.103 -8.264) 9.714 5.055 ( 1.022 -2.432 -0.157) 2.643 5.234 ( -4.755 -3.136 6.354) 8.533 5.662 ( 4.511 -4.762 3.362) 7.371 5.887 ( -1.218 -4.153 -1.626) 4.623 6.023 ( -1.222 -1.524 5.238) 5.590 6.600 ( 1.879 -1.861 -10.970) 11.285 10.065 ( -0.431 0.442 0.304) 0.688 10.828 ( 0.153 0.442 -0.265) 0.538 11.012 ( 0.453 1.103 -1.340) 1.794 11.685 ( -0.102 1.173 -1.322) 1.770 14.555 ( 0.560 -0.501 -0.304) 0.811 14.644 ( -0.434 -0.368 -0.092) 0.576 33.445 ( 5.247 -10.257 11.900) 16.563 33.670 ( -4.389 -7.111 0.259) 8.361 ======================= Grid point 149 (58/168) ======================= q-point: ( 0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 2.365 0.000 18.977) 19.124 0.989 ( 10.488 0.000 17.073) 20.037 1.119 ( -7.115 -0.000 -16.925) 18.360 1.502 ( 7.573 0.000 -18.735) 20.208 1.912 ( 12.947 0.000 11.762) 17.492 2.135 ( 2.752 0.000 10.469) 10.824 2.290 ( -1.612 -0.000 4.967) 5.222 2.433 ( 2.430 0.000 -7.216) 7.614 2.557 ( 2.760 0.000 0.644) 2.834 2.597 ( -11.182 -0.000 1.729) 11.314 2.897 ( -2.121 -0.000 7.103) 7.412 3.036 ( 11.845 0.000 -10.506) 15.832 3.077 ( 7.910 0.000 -8.962) 11.953 3.177 ( -8.657 -0.000 -0.766) 8.691 3.387 ( -6.047 -0.000 -0.282) 6.053 3.450 ( -0.615 -0.000 0.712) 0.941 3.537 ( -0.717 -0.000 6.763) 6.801 3.856 ( 1.009 0.000 -8.112) 8.174 3.945 ( -2.039 -0.000 -0.514) 2.103 4.197 ( -1.362 -0.000 -0.689) 1.526 4.312 ( 0.070 0.000 0.025) 0.074 4.532 ( 7.077 0.000 2.812) 7.615 5.075 ( -1.055 -0.000 0.355) 1.113 5.428 ( 4.322 0.000 8.059) 9.145 5.805 ( -12.658 -0.000 -0.948) 12.694 5.875 ( 1.334 0.000 0.047) 1.335 5.999 ( 0.947 0.000 -0.012) 0.947 6.272 ( -9.875 -0.000 -5.342) 11.227 10.089 ( 1.739 0.000 0.616) 1.845 10.850 ( 1.004 0.000 -0.721) 1.237 10.968 ( 0.988 0.000 -0.049) 0.989 11.619 ( -0.118 -0.000 0.009) 0.119 14.601 ( 1.207 0.000 -0.176) 1.220 14.700 ( 1.171 0.000 0.123) 1.177 33.784 ( 0.413 0.000 2.413) 2.448 34.274 ( 9.957 0.000 -5.089) 11.182 ======================= Grid point 150 (59/168) ======================= q-point: ( 0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 3.015 -3.961 -6.373) 8.087 1.033 ( 2.900 -0.327 8.766) 9.239 1.296 ( 9.869 -13.877 9.592) 19.544 1.649 ( 6.348 -14.940 -13.642) 21.204 2.053 ( 2.767 -4.398 3.387) 6.202 2.154 ( 3.882 1.948 3.212) 5.402 2.358 ( -1.361 -5.409 2.855) 6.266 2.457 ( -3.560 -0.936 1.665) 4.040 2.558 ( -3.315 -5.157 3.263) 6.944 2.699 ( 3.769 -7.761 4.179) 9.587 2.907 ( -1.254 -0.406 3.828) 4.049 3.064 ( 2.729 1.416 0.087) 3.075 3.097 ( 9.918 -2.410 -12.968) 16.503 3.148 ( 0.670 -1.585 0.862) 1.925 3.301 ( -7.364 3.805 1.789) 8.480 3.474 ( -1.008 -2.772 -0.480) 2.989 3.538 ( 0.021 1.399 0.709) 1.568 3.769 ( 0.280 4.817 -6.471) 8.072 3.962 ( -1.357 -1.499 1.391) 2.454 4.192 ( -0.362 -0.790 0.730) 1.135 4.378 ( -0.920 -5.706 -0.280) 5.787 4.565 ( 4.965 1.626 -0.497) 5.249 5.061 ( -0.636 0.800 -0.158) 1.034 5.435 ( 0.051 5.239 7.964) 9.533 5.691 ( -6.982 1.569 -3.997) 8.196 5.876 ( -0.025 1.966 1.188) 2.297 6.032 ( -0.197 -2.314 1.620) 2.832 6.175 ( -10.074 -0.134 -5.401) 11.431 10.105 ( 1.812 -0.008 0.482) 1.876 10.853 ( 1.128 0.198 -0.420) 1.220 10.985 ( 0.848 -0.954 -0.297) 1.311 11.628 ( -0.302 -0.958 0.008) 1.004 14.599 ( 0.788 0.849 -0.124) 1.165 14.693 ( 0.173 1.183 -0.143) 1.205 33.740 ( 1.661 5.816 -0.200) 6.052 34.244 ( 10.825 8.921 -0.719) 14.046 ======================= Grid point 151 (60/168) ======================= q-point: ( 0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 9.657 -8.076 -3.143) 12.975 1.198 ( 1.441 -8.840 7.673) 11.794 1.605 ( 6.879 -8.561 4.196) 11.757 1.880 ( 1.420 -7.025 -3.939) 8.178 2.116 ( 6.969 -5.063 -3.770) 9.402 2.285 ( 5.107 -7.320 1.098) 8.993 2.376 ( -12.083 -2.031 2.613) 12.528 2.533 ( 2.872 -5.005 3.338) 6.667 2.655 ( -6.014 -5.611 5.887) 10.115 2.833 ( -4.701 -6.220 -1.236) 7.894 2.955 ( 4.728 -3.471 -4.387) 7.324 3.054 ( -1.171 1.821 7.539) 7.844 3.176 ( -7.206 1.927 0.726) 7.495 3.219 ( 8.268 -1.660 -0.337) 8.440 3.276 ( 7.966 -9.644 -4.914) 13.439 3.469 ( 2.240 3.200 -2.639) 4.714 3.553 ( -1.767 -5.212 -2.375) 5.994 3.689 ( 2.804 0.594 -3.379) 4.431 3.976 ( -0.922 -0.201 3.532) 3.656 4.219 ( -0.281 -2.019 0.823) 2.198 4.456 ( -0.771 -2.243 0.968) 2.562 4.567 ( 1.305 -1.048 -2.279) 2.828 5.039 ( 0.213 1.101 -0.726) 1.336 5.323 ( -4.128 6.816 3.553) 8.725 5.633 ( -0.431 0.804 -2.520) 2.680 5.811 ( -1.228 4.406 1.100) 4.704 6.032 ( -4.973 2.086 0.549) 5.420 6.109 ( -5.893 -0.881 -1.553) 6.157 10.119 ( 1.653 -0.027 0.270) 1.675 10.858 ( 1.113 -0.025 -0.167) 1.126 11.007 ( 0.563 -0.929 -0.504) 1.197 11.645 ( -0.500 -1.214 0.072) 1.315 14.584 ( 0.388 1.088 -0.142) 1.164 14.667 ( -0.242 1.213 -0.334) 1.281 33.612 ( 2.451 9.022 -0.946) 9.396 34.124 ( 10.488 12.355 1.065) 16.241 ======================= Grid point 152 (61/168) ======================= q-point: ( 0.45 0.18 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 4.707 -10.151 0.312) 11.194 1.411 ( 1.780 -10.113 5.143) 11.485 1.767 ( 4.676 -4.983 0.627) 6.862 1.936 ( 0.971 -2.320 0.468) 2.558 2.270 ( 3.892 -2.956 -3.304) 5.899 2.329 ( 0.195 3.457 2.871) 4.498 2.400 ( -3.648 -7.115 0.403) 8.006 2.685 ( -3.980 -1.177 10.073) 10.894 2.697 ( 4.103 -5.339 1.540) 6.908 2.871 ( -8.956 -0.626 -1.784) 9.154 2.991 ( -2.675 -0.754 -6.561) 7.125 3.037 ( -1.052 -1.803 -0.827) 2.245 3.137 ( -0.510 0.353 1.313) 1.452 3.256 ( 3.212 1.457 -1.878) 3.995 3.405 ( 5.252 -3.132 -5.258) 8.065 3.537 ( 0.489 -1.275 -7.993) 8.109 3.597 ( 1.877 -8.823 6.254) 10.976 3.827 ( 8.487 -8.202 -0.474) 11.812 3.997 ( -1.283 -1.450 3.392) 3.906 4.320 ( 0.420 -10.078 0.871) 10.124 4.477 ( 0.165 -2.062 1.208) 2.395 4.599 ( -1.475 -2.132 -1.080) 2.809 5.021 ( 1.232 0.907 -1.380) 2.060 5.187 ( -3.254 5.835 0.953) 6.749 5.612 ( 1.145 1.272 -1.163) 2.069 5.736 ( -0.797 2.780 1.119) 3.101 5.919 ( -6.610 4.841 -1.555) 8.340 6.048 ( -4.328 4.284 1.739) 6.333 10.131 ( 1.266 0.031 0.130) 1.273 10.867 ( 0.873 -0.113 -0.083) 0.884 11.023 ( 0.359 -0.689 -0.529) 0.939 11.664 ( -0.494 -1.109 0.114) 1.219 14.567 ( 0.115 0.822 -0.099) 0.836 14.646 ( -0.160 0.704 -0.390) 0.821 33.454 ( 2.167 9.414 -0.276) 9.664 33.962 ( 7.954 12.899 0.699) 15.170 ======================= Grid point 153 (62/168) ======================= q-point: ( 0.55 0.18 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -5.953 -6.644 -0.400) 8.930 1.642 ( 3.550 -9.295 5.033) 11.151 1.902 ( 5.062 -6.277 -1.988) 8.306 2.012 ( 1.165 -3.841 1.590) 4.317 2.235 ( -4.312 3.622 4.439) 7.170 2.297 ( 1.304 0.349 0.485) 1.434 2.520 ( 2.914 -4.008 -4.440) 6.654 2.639 ( -7.574 2.836 -0.380) 8.096 2.772 ( 4.531 6.722 9.237) 12.290 2.790 ( -2.461 -1.200 -5.191) 5.869 2.985 ( -0.163 -1.399 0.122) 1.413 3.034 ( -0.519 0.742 -0.737) 1.168 3.123 ( -1.324 0.797 0.352) 1.585 3.228 ( 1.528 2.908 1.365) 3.558 3.401 ( 0.467 2.741 -4.174) 5.015 3.641 ( 2.093 -12.507 -7.360) 14.662 3.734 ( 0.734 -3.088 -2.791) 4.226 4.020 ( 1.501 -4.646 2.423) 5.451 4.084 ( 5.747 -5.629 5.967) 10.016 4.491 ( -1.374 -8.879 -0.584) 9.003 4.585 ( -2.965 1.648 -0.634) 3.451 4.658 ( 2.191 -13.631 0.147) 13.806 5.012 ( 1.348 0.324 -1.713) 2.204 5.072 ( -0.953 5.547 0.967) 5.710 5.610 ( 2.055 -1.323 0.022) 2.444 5.707 ( -1.438 1.664 0.610) 2.283 5.757 ( -5.235 5.858 -0.991) 7.919 5.913 ( -2.998 7.427 1.296) 8.114 10.136 ( 0.729 0.278 0.063) 0.782 10.873 ( 0.508 0.017 -0.112) 0.521 11.033 ( 0.287 -0.473 -0.462) 0.721 11.680 ( -0.314 -0.901 0.112) 0.961 14.555 ( -0.030 0.495 -0.003) 0.496 14.636 ( 0.035 0.281 -0.335) 0.439 33.308 ( 1.051 7.505 0.483) 7.594 33.783 ( 4.322 11.428 0.018) 12.218 ======================= Grid point 154 (63/168) ======================= q-point: (-0.36 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -7.895 -4.416 -2.100) 9.287 1.797 ( -1.856 -4.346 0.094) 4.727 2.022 ( -1.806 1.528 4.631) 5.201 2.049 ( 4.542 -2.334 0.545) 5.136 2.221 ( -0.772 -2.515 -4.533) 5.241 2.321 ( 4.610 0.034 3.484) 5.779 2.482 ( -3.612 1.977 -4.532) 6.123 2.609 ( 1.671 11.729 6.471) 13.500 2.625 ( -2.847 -5.459 -1.316) 6.295 2.856 ( 4.680 -2.725 -0.632) 5.452 2.935 ( -0.947 6.312 4.479) 7.798 3.020 ( -2.295 1.761 1.222) 3.141 3.128 ( -0.487 -3.072 -1.993) 3.694 3.200 ( 0.683 1.755 3.408) 3.894 3.395 ( 3.017 -3.362 -4.513) 6.385 3.726 ( 2.636 0.394 -5.668) 6.264 3.865 ( 0.369 -10.105 -3.350) 10.652 4.085 ( -1.022 -0.595 4.927) 5.067 4.152 ( 2.273 5.963 0.119) 6.383 4.532 ( -2.601 -1.161 1.078) 3.046 4.665 ( 1.901 -7.350 -1.485) 7.735 4.855 ( -1.661 -7.454 -1.799) 7.846 4.951 ( 0.918 9.581 1.590) 9.755 4.999 ( -0.286 1.470 0.381) 1.545 5.554 ( -4.669 6.673 0.118) 8.145 5.731 ( 0.369 -1.500 -0.346) 1.583 5.746 ( 3.070 -8.522 0.249) 9.062 5.791 ( -1.060 1.416 0.191) 1.779 10.132 ( 0.213 0.658 0.021) 0.692 10.872 ( 0.167 0.275 -0.183) 0.370 11.040 ( 0.307 -0.236 -0.437) 0.584 11.693 ( -0.091 -0.659 0.071) 0.669 14.548 ( -0.089 0.272 0.074) 0.295 14.632 ( 0.184 0.077 -0.182) 0.270 33.207 ( -0.173 4.074 0.847) 4.165 33.619 ( 1.010 8.186 -0.268) 8.252 ======================= Grid point 155 (64/168) ======================= q-point: (-0.27 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -3.746 -4.958 -1.766) 6.459 1.772 ( -3.147 3.296 -1.786) 4.894 1.890 ( -6.616 8.311 0.375) 10.629 2.018 ( -1.215 12.526 -6.753) 14.283 2.240 ( 5.949 -4.164 -1.672) 7.451 2.392 ( 4.462 -1.120 7.526) 8.821 2.416 ( -1.760 2.834 1.721) 3.754 2.575 ( 0.493 -2.670 2.430) 3.644 2.720 ( -1.107 -2.743 1.539) 3.334 2.823 ( 1.381 3.776 4.779) 6.245 2.923 ( -0.126 -3.650 -0.208) 3.658 3.010 ( -0.233 -1.126 2.937) 3.154 3.171 ( -2.485 -3.224 -0.421) 4.092 3.207 ( 0.817 -0.999 -0.926) 1.588 3.497 ( 4.725 -4.895 -2.774) 7.347 3.708 ( 3.333 1.593 -4.313) 5.679 3.872 ( 0.984 20.786 -0.093) 20.810 3.990 ( -1.444 -4.382 -3.379) 5.719 4.090 ( -1.936 1.409 0.996) 2.594 4.619 ( -0.826 -6.174 2.598) 6.749 4.656 ( 0.926 9.279 0.472) 9.337 4.700 ( -2.283 17.052 1.386) 17.260 4.908 ( -0.464 -2.898 -2.371) 3.773 5.047 ( 0.717 -4.874 0.770) 4.987 5.462 ( -1.672 0.343 -0.690) 1.841 5.739 ( -0.052 -0.216 -0.454) 0.505 5.787 ( 0.353 -3.635 1.941) 4.136 6.042 ( 2.214 -16.013 -1.893) 16.275 10.116 ( -0.084 0.990 -0.017) 0.993 10.864 ( -0.017 0.530 -0.248) 0.585 11.042 ( 0.352 0.070 -0.516) 0.629 11.702 ( 0.032 -0.361 -0.040) 0.365 14.544 ( -0.062 0.108 0.097) 0.158 14.633 ( 0.219 -0.021 -0.028) 0.221 33.168 ( -0.772 0.178 1.283) 1.508 33.508 ( -0.743 3.575 -0.213) 3.657 ======================= Grid point 156 (65/168) ======================= q-point: (-0.18 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( -2.630 10.099 4.609) 11.408 1.583 ( -8.345 15.652 -8.438) 19.643 1.725 ( 3.482 -2.836 -1.664) 4.789 1.799 ( 1.307 6.839 1.549) 7.133 2.279 ( 1.032 4.643 0.338) 4.768 2.360 ( 5.909 2.607 -5.535) 8.506 2.521 ( -1.776 -5.248 11.958) 13.179 2.584 ( -4.554 -1.286 -5.099) 6.956 2.707 ( -0.668 0.134 3.819) 3.879 2.868 ( 1.540 -1.128 4.206) 4.619 3.009 ( -2.327 -1.509 4.112) 4.960 3.080 ( 2.150 -1.920 5.115) 5.871 3.200 ( 2.892 0.878 -0.818) 3.131 3.227 ( -4.197 -4.521 -4.414) 7.586 3.381 ( 0.990 19.657 -1.969) 19.780 3.644 ( 3.754 -0.813 -1.718) 4.208 3.708 ( 3.477 2.047 0.721) 4.099 3.956 ( 0.622 6.135 -8.638) 10.613 4.034 ( -1.913 2.910 -1.615) 3.839 4.354 ( -1.910 16.093 3.031) 16.487 4.464 ( -1.096 9.331 1.933) 9.592 4.729 ( -1.111 -4.152 1.225) 4.469 4.955 ( 1.146 -2.771 -2.465) 3.882 5.132 ( -0.088 -3.233 3.117) 4.492 5.496 ( 1.067 -4.054 -1.197) 4.359 5.754 ( -0.633 -2.117 -1.415) 2.624 5.889 ( -0.038 -5.268 4.030) 6.632 6.310 ( -0.327 -13.123 -4.020) 13.729 10.096 ( -0.030 1.091 -0.024) 1.092 10.851 ( 0.009 0.675 -0.295) 0.737 11.038 ( 0.386 0.394 -0.669) 0.867 11.705 ( -0.068 0.049 -0.270) 0.283 14.544 ( 0.115 -0.077 0.019) 0.139 14.635 ( 0.065 -0.088 0.001) 0.109 33.204 ( -0.048 -3.659 3.033) 4.753 33.483 ( -0.148 -1.400 -0.372) 1.456 ======================= Grid point 157 (66/168) ======================= q-point: (-0.09 0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( -2.837 15.479 -1.895) 15.851 1.294 ( -5.402 16.099 10.007) 19.711 1.667 ( 2.104 7.058 -1.843) 7.592 1.887 ( 9.860 -4.172 -2.683) 11.037 2.159 ( -5.471 5.403 -0.529) 7.708 2.323 ( 10.085 4.928 -4.042) 11.930 2.522 ( -5.365 -0.057 -0.420) 5.382 2.670 ( -1.038 18.543 6.494) 19.674 2.684 ( 0.740 4.029 8.075) 9.055 2.716 ( -2.330 1.216 0.169) 2.634 2.948 ( -0.990 2.423 1.464) 2.999 3.034 ( 0.561 0.173 6.124) 6.152 3.200 ( 2.778 2.104 -2.490) 4.283 3.259 ( -5.448 -4.132 0.031) 6.837 3.362 ( 0.591 -5.975 2.490) 6.500 3.522 ( 1.773 13.900 -11.935) 18.407 3.666 ( 2.038 6.595 0.062) 6.904 3.838 ( 3.682 -0.188 -12.985) 13.498 3.945 ( -1.700 2.955 1.209) 3.617 4.196 ( 3.706 4.716 7.745) 9.795 4.357 ( -3.355 2.056 1.414) 4.182 4.746 ( -1.685 0.944 -3.382) 3.895 5.007 ( 0.403 -2.975 -0.939) 3.146 5.194 ( -1.380 -2.315 5.066) 5.739 5.603 ( 3.510 -5.766 0.709) 6.787 5.791 ( -1.893 -3.552 -2.006) 4.497 5.991 ( -1.064 -3.717 5.128) 6.422 6.463 ( -3.830 -7.422 -7.005) 10.901 10.079 ( 0.360 0.894 0.051) 0.965 10.838 ( 0.261 0.612 -0.306) 0.733 11.027 ( 0.365 0.754 -0.882) 1.216 11.695 ( -0.439 0.671 -0.608) 1.006 14.550 ( 0.493 -0.369 -0.147) 0.633 14.637 ( -0.044 -0.163 0.006) 0.169 33.337 ( 1.416 -8.165 6.569) 10.575 33.556 ( 3.930 -5.494 -0.981) 6.826 ======================= Grid point 161 (67/168) ======================= q-point: ( 0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.965 ( 12.335 0.000 -13.397) 18.211 1.149 ( 7.081 0.000 14.256) 15.918 1.268 ( 8.960 0.000 11.433) 14.526 1.483 ( 10.553 0.000 -12.994) 16.739 2.045 ( 1.367 0.000 3.938) 4.168 2.200 ( -2.765 -0.000 -0.640) 2.838 2.254 ( -6.298 -0.000 -0.126) 6.299 2.445 ( -8.711 -0.000 5.930) 10.538 2.553 ( 6.328 0.000 3.945) 7.457 2.650 ( 7.139 0.000 3.391) 7.903 2.912 ( -2.274 -0.000 0.449) 2.318 3.047 ( -8.098 -0.000 -0.339) 8.105 3.092 ( 10.840 0.000 -15.817) 19.175 3.165 ( 7.285 0.000 3.467) 8.068 3.320 ( -4.572 -0.000 6.234) 7.731 3.422 ( -3.390 -0.000 -0.629) 3.448 3.556 ( 0.349 0.000 -2.310) 2.337 3.828 ( 0.163 0.000 1.583) 1.592 3.907 ( -2.273 -0.000 -0.642) 2.362 4.203 ( 2.086 0.000 0.884) 2.266 4.314 ( 0.075 0.000 0.375) 0.382 4.607 ( 3.051 0.000 -3.081) 4.336 5.061 ( -0.506 -0.000 -1.062) 1.176 5.514 ( -7.363 -0.000 8.451) 11.209 5.650 ( -0.742 -0.000 -2.533) 2.640 5.896 ( 1.432 0.000 0.044) 1.432 6.013 ( 0.989 0.000 0.001) 0.989 6.077 ( -10.665 -0.000 -4.307) 11.502 10.120 ( 1.717 0.000 0.552) 1.804 10.861 ( 1.081 0.000 -0.486) 1.185 10.983 ( 1.078 0.000 -0.058) 1.080 11.617 ( -0.126 -0.000 0.019) 0.127 14.611 ( 0.264 0.000 -0.007) 0.264 14.700 ( -0.711 -0.000 -0.796) 1.067 33.805 ( 2.244 0.000 -1.602) 2.757 34.400 ( 9.130 0.000 0.856) 9.170 ======================= Grid point 162 (68/168) ======================= q-point: ( 0.36 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( 17.556 -3.231 -6.741) 19.081 1.193 ( 6.887 0.733 6.560) 9.539 1.531 ( 8.553 -10.454 9.797) 16.686 1.671 ( 9.440 -13.320 -5.668) 17.282 2.091 ( -2.063 -1.515 3.494) 4.331 2.161 ( -0.830 -3.960 -2.230) 4.620 2.257 ( -10.304 -3.611 0.449) 10.927 2.463 ( -5.242 -7.349 4.239) 9.972 2.573 ( 3.021 2.553 2.698) 4.788 2.783 ( -0.608 -1.139 2.028) 2.404 2.891 ( 1.446 -4.490 -2.548) 5.361 3.038 ( -5.196 -3.831 0.394) 6.468 3.121 ( 7.764 -3.228 -11.353) 14.128 3.214 ( 0.210 2.458 5.688) 6.200 3.294 ( 4.262 1.600 -0.237) 4.559 3.426 ( -4.588 -3.796 -2.020) 6.288 3.533 ( 3.184 2.135 -0.291) 3.845 3.766 ( 0.824 4.828 2.942) 5.714 3.951 ( -2.494 -3.029 2.596) 4.705 4.224 ( 3.382 0.344 1.778) 3.836 4.368 ( -0.596 -4.798 0.398) 4.851 4.583 ( 0.734 1.817 -4.812) 5.196 5.047 ( -0.059 0.434 -1.964) 2.012 5.412 ( -8.355 5.192 3.103) 10.315 5.653 ( 2.852 1.290 0.698) 3.207 5.875 ( -1.599 3.222 0.621) 3.650 5.998 ( -7.727 -0.552 -2.913) 8.277 6.045 ( -0.017 -2.413 0.594) 2.485 10.133 ( 1.493 0.076 0.413) 1.551 10.866 ( 1.053 0.060 -0.323) 1.103 10.996 ( 0.850 -0.566 -0.176) 1.036 11.624 ( -0.229 -0.778 0.049) 0.813 14.603 ( -0.167 0.814 -0.126) 0.841 14.681 ( -0.753 0.837 -0.867) 1.421 33.764 ( 2.883 5.531 -1.480) 6.411 34.393 ( 8.155 7.894 1.749) 11.484 ======================= Grid point 163 (69/168) ======================= q-point: ( 0.45 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 8.511 -5.181 -5.020) 11.157 1.335 ( 10.037 -5.845 4.293) 12.383 1.738 ( 4.520 -3.566 5.441) 7.922 1.903 ( 1.159 -4.879 2.675) 5.684 2.178 ( 6.772 -10.630 -4.936) 13.536 2.229 ( -11.346 -2.879 5.626) 12.987 2.364 ( 2.462 -8.680 2.552) 9.376 2.509 ( -5.147 -4.556 -4.099) 8.003 2.681 ( 0.426 -9.781 6.253) 11.617 2.721 ( -7.370 1.226 2.311) 7.821 2.981 ( 4.973 -1.760 -6.291) 8.210 3.039 ( -6.789 4.265 -4.479) 9.184 3.108 ( 0.985 -1.262 1.053) 1.916 3.286 ( 4.213 -2.246 -2.305) 5.302 3.340 ( 5.970 -3.782 -4.048) 8.144 3.478 ( -3.095 -8.334 -2.967) 9.372 3.551 ( 3.628 1.271 3.305) 5.070 3.749 ( 3.227 -2.015 5.158) 6.409 3.977 ( -2.909 -0.993 3.053) 4.333 4.255 ( 3.602 -0.445 1.744) 4.027 4.439 ( -1.654 -2.470 -0.560) 3.025 4.547 ( -0.441 -1.061 -3.045) 3.254 5.032 ( 0.691 0.382 -2.468) 2.591 5.271 ( -4.562 5.663 1.404) 7.407 5.645 ( 2.007 1.680 0.492) 2.663 5.791 ( -2.496 3.580 0.558) 4.399 5.933 ( -5.086 2.148 -1.511) 5.724 6.070 ( -1.968 0.126 1.339) 2.384 10.143 ( 1.162 0.124 0.240) 1.192 10.871 ( 0.858 -0.012 -0.241) 0.892 11.012 ( 0.536 -0.637 -0.255) 0.871 11.640 ( -0.343 -1.106 0.093) 1.162 14.583 ( -0.197 0.962 -0.206) 1.004 14.657 ( -0.321 0.861 -0.581) 1.087 33.644 ( 2.715 9.007 -0.352) 9.414 34.261 ( 6.527 12.535 1.087) 14.174 ======================= Grid point 164 (70/168) ======================= q-point: ( 0.55 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 0.665 -5.894 -4.538) 7.469 1.530 ( 5.520 -7.063 0.968) 9.016 1.827 ( 2.250 -3.241 0.917) 4.051 1.981 ( -0.288 -3.665 7.157) 8.046 2.239 ( -7.606 -1.902 8.896) 11.858 2.344 ( 0.373 3.945 -0.744) 4.032 2.406 ( 4.600 -8.121 -7.970) 12.274 2.629 ( -3.919 -1.569 -5.479) 6.916 2.722 ( -2.601 -3.682 4.902) 6.659 2.849 ( -3.265 -5.746 0.587) 6.635 2.905 ( 3.125 -0.834 0.973) 3.378 3.026 ( 0.126 -1.840 -1.139) 2.167 3.147 ( 0.530 0.485 0.845) 1.109 3.293 ( 2.374 2.048 1.728) 3.580 3.427 ( 3.086 -7.529 -8.712) 11.921 3.489 ( 0.672 6.009 -0.604) 6.076 3.633 ( 0.712 -7.145 -0.347) 7.189 3.953 ( 3.175 -7.983 2.984) 9.094 4.013 ( 0.403 -6.230 4.785) 7.866 4.325 ( -0.374 -5.434 -0.807) 5.506 4.472 ( -0.424 -5.828 -1.144) 5.954 4.573 ( -0.678 -1.294 -0.610) 1.583 5.022 ( 1.280 0.398 -2.470) 2.810 5.157 ( -2.010 4.682 1.155) 5.224 5.628 ( 1.257 1.433 0.505) 1.972 5.732 ( -0.874 1.713 0.741) 2.061 5.824 ( -4.105 5.393 -1.053) 6.859 6.012 ( -2.551 4.744 0.915) 5.464 10.147 ( 0.712 0.244 0.136) 0.765 10.876 ( 0.506 0.001 -0.283) 0.580 11.025 ( 0.379 -0.547 -0.205) 0.697 11.659 ( -0.298 -1.126 0.109) 1.169 14.566 ( -0.083 0.730 -0.116) 0.744 14.642 ( 0.029 0.511 -0.328) 0.608 33.484 ( 1.637 9.889 0.599) 10.041 34.054 ( 3.976 14.028 0.166) 14.582 ======================= Grid point 165 (71/168) ======================= q-point: ( 0.64 0.27 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -3.506 -4.083 -4.272) 6.871 1.662 ( -1.514 -6.275 -4.094) 7.644 1.930 ( 1.839 -6.440 0.471) 6.714 2.108 ( 3.196 -2.967 8.325) 9.398 2.200 ( -5.386 2.798 5.193) 7.988 2.344 ( 2.880 -1.246 3.285) 4.543 2.474 ( -6.120 -4.316 -6.997) 10.249 2.518 ( 0.362 4.388 -6.615) 7.946 2.747 ( 1.815 0.466 -2.861) 3.420 2.892 ( -0.793 0.161 6.650) 6.699 3.023 ( 1.888 -3.291 1.080) 3.945 3.045 ( 0.901 0.996 2.788) 3.095 3.095 ( -0.698 4.513 2.069) 5.014 3.260 ( -0.671 3.608 3.547) 5.104 3.405 ( 4.827 2.040 -2.552) 5.829 3.610 ( 0.820 -11.553 -4.834) 12.550 3.731 ( 2.651 -3.674 -4.229) 6.198 4.036 ( -1.942 -3.768 3.434) 5.455 4.196 ( 1.559 -3.944 4.302) 6.041 4.448 ( -1.011 -11.113 -3.744) 11.770 4.551 ( -0.566 2.449 -0.052) 2.514 4.665 ( -0.304 -12.594 -1.962) 12.749 5.014 ( 0.677 0.507 -1.102) 1.389 5.083 ( 0.363 3.609 1.993) 4.139 5.638 ( 1.201 -2.163 0.656) 2.559 5.664 ( -2.401 7.428 0.026) 7.807 5.724 ( -0.617 0.371 -0.382) 0.815 5.883 ( -1.704 6.938 -0.056) 7.144 10.144 ( 0.256 0.506 0.076) 0.572 10.876 ( 0.161 0.130 -0.339) 0.398 11.035 ( 0.364 -0.393 -0.178) 0.564 11.677 ( -0.151 -0.978 0.098) 0.994 14.554 ( -0.057 0.466 -0.013) 0.470 14.636 ( 0.211 0.191 -0.128) 0.312 33.325 ( 0.327 8.178 0.916) 8.235 33.824 ( 1.422 12.724 -0.279) 12.807 ======================= Grid point 166 (72/168) ======================= q-point: (-0.27 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -0.114 -5.191 -2.888) 5.942 1.708 ( -4.081 -3.747 -6.576) 8.599 2.018 ( -5.349 9.346 2.134) 10.978 2.070 ( -0.828 -4.787 0.769) 4.918 2.198 ( 2.638 1.642 -4.485) 5.456 2.412 ( 2.126 -1.979 3.690) 4.696 2.431 ( -0.016 -0.195 0.436) 0.478 2.585 ( -2.048 -9.731 1.968) 10.137 2.685 ( 1.496 6.092 4.055) 7.470 2.935 ( 3.232 0.701 3.647) 4.923 2.972 ( 1.720 5.554 0.161) 5.816 3.006 ( -2.820 4.509 5.521) 7.666 3.072 ( -1.742 -3.027 -5.301) 6.348 3.220 ( -0.996 1.144 3.451) 3.769 3.467 ( 6.775 -2.582 1.603) 7.425 3.716 ( 2.734 -1.438 -5.843) 6.610 3.833 ( 0.110 -8.150 -4.925) 9.523 4.082 ( -3.343 -0.415 2.169) 4.007 4.176 ( 0.633 8.272 0.616) 8.319 4.517 ( -1.028 -3.186 1.694) 3.752 4.654 ( -0.914 -8.205 -2.752) 8.703 4.821 ( 0.337 -5.858 -2.455) 6.360 4.991 ( 0.150 8.560 2.897) 9.038 5.001 ( 1.065 2.368 0.931) 2.759 5.517 ( -0.193 6.371 -0.128) 6.375 5.729 ( -0.171 -2.218 -0.494) 2.279 5.768 ( -0.142 -8.759 -0.074) 8.761 5.775 ( -0.792 0.685 -0.621) 1.217 10.133 ( -0.010 0.818 0.021) 0.818 10.870 ( -0.015 0.324 -0.344) 0.472 11.042 ( 0.381 -0.149 -0.285) 0.499 11.692 ( -0.056 -0.702 0.046) 0.706 14.548 ( -0.058 0.247 0.071) 0.263 14.635 ( 0.248 0.048 0.009) 0.253 33.210 ( -0.473 4.468 0.906) 4.584 33.625 ( 0.188 9.005 -0.243) 9.010 ======================= Grid point 167 (73/168) ======================= q-point: (-0.18 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 5.442 -6.063 -0.714) 8.179 1.699 ( -1.776 -0.592 -4.849) 5.198 1.757 ( -6.108 12.417 -3.424) 14.255 1.968 ( -1.121 9.859 -1.369) 10.016 2.285 ( -0.000 -7.430 0.979) 7.494 2.396 ( -0.559 3.175 -2.156) 3.878 2.512 ( 1.038 -2.717 8.411) 8.899 2.576 ( -1.401 5.744 -0.046) 5.913 2.743 ( -0.420 -0.039 5.886) 5.901 2.891 ( 2.796 1.495 2.856) 4.267 2.961 ( 2.605 -3.054 2.674) 4.823 3.012 ( -1.881 -3.466 1.271) 4.144 3.105 ( -3.271 -4.300 -3.185) 6.272 3.222 ( 0.797 0.033 1.667) 1.848 3.549 ( 3.802 -0.648 -2.507) 4.600 3.734 ( 4.044 -0.094 -0.901) 4.144 3.873 ( 0.734 16.475 -3.123) 16.784 3.933 ( -1.325 -3.886 -4.849) 6.353 4.080 ( -0.832 4.193 1.767) 4.626 4.607 ( -4.314 2.800 1.197) 5.281 4.633 ( -0.953 1.488 1.340) 2.218 4.733 ( 2.599 15.700 1.215) 15.960 4.906 ( 2.823 -2.166 -1.770) 3.974 5.055 ( -0.734 -5.699 0.854) 5.810 5.456 ( 1.649 0.274 -0.770) 1.840 5.731 ( -0.297 0.462 -0.605) 0.817 5.805 ( -0.430 -4.928 2.363) 5.482 6.013 ( -3.215 -15.536 -2.648) 16.085 10.116 ( 0.070 1.008 -0.024) 1.011 10.861 ( 0.032 0.509 -0.308) 0.596 11.043 ( 0.380 0.157 -0.482) 0.633 11.701 ( -0.136 -0.290 -0.066) 0.327 14.545 ( 0.022 0.052 0.112) 0.126 14.636 ( 0.172 0.041 0.038) 0.181 33.172 ( -0.280 -0.353 1.357) 1.430 33.510 ( 1.190 3.684 -0.173) 3.875 ======================= Grid point 168 (74/168) ======================= q-point: (-0.09 0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( -5.139 13.952 -3.989) 15.394 1.575 ( 0.595 10.396 4.064) 11.178 1.757 ( -0.880 1.891 -1.585) 2.620 1.875 ( 11.191 -3.724 0.270) 11.797 2.254 ( -1.447 8.848 -2.015) 9.189 2.400 ( -9.701 -3.408 0.794) 10.313 2.459 ( 8.069 3.476 -4.752) 9.989 2.603 ( -3.026 -3.858 8.418) 9.742 2.722 ( -2.079 1.437 2.079) 3.273 2.918 ( 0.991 -0.124 3.473) 3.614 3.025 ( -1.897 -2.313 7.518) 8.092 3.124 ( -2.851 -3.634 -6.171) 7.708 3.150 ( 1.249 -1.715 2.386) 3.193 3.238 ( 1.756 0.239 0.859) 1.969 3.405 ( 4.228 15.045 -1.065) 15.664 3.658 ( 2.482 3.561 -5.393) 6.923 3.766 ( 2.588 2.827 0.815) 3.918 3.894 ( 0.821 8.076 -8.369) 11.659 3.989 ( -2.086 1.774 -1.022) 2.923 4.374 ( 0.478 10.558 4.138) 11.351 4.479 ( 1.594 12.447 1.446) 12.632 4.712 ( -2.007 -2.378 0.090) 3.114 4.955 ( 1.195 -2.456 -1.184) 2.977 5.148 ( -1.258 -4.036 2.685) 5.009 5.519 ( 3.072 -5.126 -1.362) 6.130 5.729 ( -1.167 -1.134 -1.040) 1.931 5.915 ( -1.211 -5.619 3.880) 6.935 6.223 ( -6.321 -11.967 -4.040) 14.124 10.100 ( 0.503 0.957 -0.024) 1.081 10.851 ( 0.279 0.592 -0.260) 0.704 11.038 ( 0.354 0.481 -0.679) 0.904 11.699 ( -0.411 0.280 -0.212) 0.540 14.547 ( 0.244 -0.193 0.037) 0.313 14.637 ( 0.132 0.006 0.054) 0.143 33.235 ( 0.656 -5.478 2.624) 6.110 33.515 ( 4.760 -2.184 -0.394) 5.252 ======================= Grid point 173 (75/168) ======================= q-point: ( 0.36 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( 23.134 0.000 -1.267) 23.169 1.371 ( 9.956 0.000 7.268) 12.327 1.378 ( 5.611 0.000 -5.584) 7.916 1.655 ( 13.642 0.000 6.335) 15.041 2.057 ( -5.072 -0.000 4.113) 6.530 2.116 ( -7.736 -0.000 1.918) 7.970 2.118 ( -9.821 -0.000 -3.180) 10.323 2.381 ( -4.872 -0.000 2.848) 5.643 2.632 ( 1.385 0.000 0.895) 1.649 2.790 ( 6.017 0.000 4.237) 7.359 2.818 ( -7.070 -0.000 -2.640) 7.546 2.950 ( -4.159 -0.000 -0.188) 4.163 3.104 ( 9.927 0.000 -16.333) 19.113 3.271 ( -3.808 -0.000 -1.390) 4.053 3.335 ( 5.181 0.000 5.475) 7.538 3.344 ( -5.226 -0.000 -2.234) 5.684 3.590 ( 4.889 0.000 3.410) 5.961 3.871 ( -1.373 -0.000 8.220) 8.333 3.872 ( -1.607 -0.000 -0.762) 1.778 4.270 ( 4.517 0.000 2.426) 5.128 4.320 ( -0.023 -0.000 0.722) 0.722 4.579 ( -0.240 -0.000 -5.957) 5.962 5.039 ( 0.151 0.000 -3.227) 3.230 5.403 ( -8.461 -0.000 1.570) 8.605 5.707 ( 2.872 0.000 3.345) 4.409 5.906 ( -8.479 -0.000 -1.972) 8.706 5.915 ( 1.068 0.000 0.019) 1.068 6.026 ( 0.722 0.000 -0.014) 0.723 10.146 ( 1.138 0.000 0.401) 1.206 10.872 ( 0.890 0.000 -0.371) 0.964 10.997 ( 0.839 0.000 -0.052) 0.840 11.616 ( -0.099 -0.000 0.021) 0.101 14.607 ( -0.659 -0.000 -0.267) 0.711 14.679 ( -0.644 -0.000 -0.901) 1.108 33.833 ( 3.084 0.000 -0.854) 3.200 34.525 ( 5.615 0.000 1.897) 5.927 ======================= Grid point 174 (76/168) ======================= q-point: ( 0.45 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.276 ( 11.600 4.233 -3.811) 12.923 1.366 ( 11.856 -1.749 2.766) 12.299 1.678 ( 6.735 -11.580 1.939) 13.536 1.827 ( 8.803 -4.421 3.938) 10.609 2.037 ( -8.148 -2.827 1.779) 8.806 2.112 ( -5.920 -8.796 2.897) 10.991 2.134 ( -6.668 -6.718 2.632) 9.824 2.403 ( -3.078 -4.267 -1.253) 5.409 2.627 ( 0.535 0.682 2.265) 2.425 2.729 ( -4.921 2.099 2.757) 6.019 2.920 ( -3.054 -5.432 2.907) 6.876 2.986 ( 5.996 -3.725 -7.300) 10.154 3.133 ( 5.707 -3.099 -10.398) 12.259 3.170 ( -2.918 0.591 -9.237) 9.705 3.323 ( -4.506 -2.603 -4.153) 6.658 3.394 ( 3.920 1.450 9.254) 10.154 3.626 ( 4.362 1.496 2.865) 5.429 3.808 ( -0.085 3.065 4.338) 5.313 3.935 ( -3.683 -2.339 4.288) 6.117 4.299 ( 2.427 0.616 0.814) 2.633 4.365 ( -0.397 -3.865 0.473) 3.914 4.542 ( 1.493 1.579 -3.082) 3.771 5.026 ( 0.710 0.036 -3.786) 3.852 5.325 ( -5.301 3.245 1.107) 6.313 5.708 ( 2.153 2.523 1.662) 3.710 5.822 ( -4.858 2.347 0.370) 5.408 5.924 ( -1.078 0.268 -0.537) 1.234 6.049 ( -0.191 -1.510 0.603) 1.637 10.153 ( 0.752 0.096 0.286) 0.810 10.876 ( 0.670 0.024 -0.364) 0.763 11.006 ( 0.566 -0.369 -0.066) 0.679 11.622 ( -0.138 -0.676 0.042) 0.691 14.595 ( -0.453 0.595 -0.304) 0.807 14.667 ( -0.228 0.598 -0.592) 0.872 33.801 ( 2.676 5.518 0.405) 6.146 34.493 ( 3.652 7.567 1.066) 8.470 ======================= Grid point 175 (77/168) ======================= q-point: ( 0.55 0.36 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 5.827 -0.171 -4.561) 7.402 1.480 ( 4.118 -3.112 0.496) 5.185 1.803 ( 0.027 -1.211 1.924) 2.273 1.930 ( -1.983 -3.690 5.929) 7.260 2.118 ( -8.234 -8.435 2.337) 12.017 2.254 ( 4.022 -8.178 -0.626) 9.135 2.396 ( -0.515 -15.869 -0.742) 15.895 2.415 ( 0.406 0.889 1.705) 1.965 2.650 ( -3.923 -4.097 0.136) 5.674 2.752 ( -0.848 -3.730 9.107) 9.878 2.923 ( -2.280 3.124 -6.183) 7.293 2.988 ( 0.905 -1.748 -3.249) 3.799 3.103 ( 4.890 -2.676 -9.952) 11.406 3.322 ( -1.444 -2.280 -5.586) 6.204 3.362 ( 2.483 -4.230 3.096) 5.800 3.452 ( 1.409 -8.837 0.224) 8.951 3.609 ( 2.761 4.626 2.030) 5.757 3.828 ( 0.290 -4.498 5.927) 7.446 3.954 ( -3.424 -1.508 3.428) 5.074 4.289 ( -1.859 -0.060 -2.513) 3.127 4.417 ( 0.650 -1.287 -0.355) 1.485 4.546 ( 2.722 -0.781 1.047) 3.020 5.019 ( 1.208 -0.211 -3.537) 3.744 5.228 ( -2.797 4.332 0.795) 5.218 5.678 ( 1.202 2.447 1.044) 2.919 5.759 ( -1.831 2.045 0.687) 2.830 5.881 ( -1.078 3.169 -0.472) 3.381 6.055 ( -1.140 1.145 0.707) 1.763 10.156 ( 0.340 0.170 0.191) 0.425 10.877 ( 0.348 0.032 -0.418) 0.545 11.017 ( 0.364 -0.525 -0.013) 0.639 11.637 ( -0.150 -1.049 0.074) 1.062 14.579 ( -0.071 0.771 -0.167) 0.792 14.652 ( 0.106 0.677 -0.352) 0.771 33.681 ( 1.492 9.356 1.294) 9.562 34.326 ( 1.704 12.561 0.088) 12.676 ======================= Grid point 176 (78/168) ======================= q-point: (-0.36 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 0.577 -1.871 -5.562) 5.896 1.544 ( -2.453 -3.831 -1.975) 4.959 1.840 ( -1.108 -3.901 0.419) 4.077 2.053 ( 0.678 -6.692 9.691) 11.797 2.217 ( -5.605 -5.525 4.819) 9.228 2.334 ( -3.588 1.991 -2.493) 4.801 2.363 ( 4.156 -1.067 -1.839) 4.669 2.582 ( -0.262 2.852 -5.285) 6.011 2.707 ( 1.032 -6.796 -4.003) 7.954 2.830 ( -2.103 -3.463 8.431) 9.354 2.943 ( -0.280 -4.576 -1.859) 4.947 3.045 ( 2.518 -3.628 0.985) 4.525 3.164 ( 0.630 -2.075 -0.287) 2.187 3.351 ( -0.156 -3.992 -4.983) 6.387 3.367 ( 1.809 0.992 1.607) 2.615 3.542 ( 3.356 4.480 3.799) 6.765 3.635 ( 2.513 -6.971 -4.057) 8.448 3.964 ( -2.821 -3.432 3.671) 5.763 4.064 ( -1.291 -12.195 4.198) 12.962 4.289 ( -1.503 -4.500 -3.228) 5.738 4.454 ( -0.344 -4.944 -2.214) 5.428 4.581 ( 1.652 0.072 0.695) 1.793 5.019 ( 1.134 -0.097 -2.373) 2.632 5.143 ( -1.219 3.334 0.834) 3.646 5.653 ( 0.761 1.511 1.535) 2.284 5.722 ( -0.888 1.275 0.069) 1.555 5.793 ( 0.886 5.893 -0.333) 5.969 5.990 ( -0.880 5.267 0.070) 5.340 10.153 ( -0.066 0.305 0.135) 0.340 10.876 ( 0.027 0.057 -0.456) 0.460 11.030 ( 0.333 -0.508 0.025) 0.608 11.657 ( -0.055 -1.133 0.097) 1.138 14.565 ( 0.020 0.692 -0.085) 0.698 14.642 ( 0.247 0.413 -0.178) 0.513 33.506 ( 0.052 10.435 1.402) 10.529 34.079 ( -0.323 14.238 -0.391) 14.247 ======================= Grid point 177 (79/168) ======================= q-point: (-0.27 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 1.787 -4.593 -4.390) 6.600 1.581 ( -3.217 -4.049 -3.971) 6.520 1.937 ( -2.939 -7.162 2.309) 8.078 2.158 ( -5.237 8.033 3.110) 10.081 2.213 ( 3.861 -2.706 0.168) 4.718 2.371 ( -1.748 -10.263 1.285) 10.490 2.433 ( 2.951 -2.042 6.504) 7.428 2.455 ( -0.627 4.663 -6.365) 7.915 2.754 ( 0.827 0.625 -3.534) 3.683 2.894 ( -3.599 -2.788 4.791) 6.609 2.978 ( -0.719 -2.290 -6.278) 6.721 3.099 ( 0.320 2.108 2.551) 3.324 3.144 ( -0.124 4.644 5.129) 6.920 3.304 ( 1.139 5.881 6.839) 9.091 3.480 ( 6.928 -4.270 -2.569) 8.533 3.589 ( 0.436 -7.282 -0.905) 7.351 3.732 ( 3.557 -3.678 -6.653) 8.394 4.027 ( -3.237 -3.899 3.639) 6.239 4.185 ( -5.316 -3.886 1.909) 6.856 4.425 ( 0.807 -9.034 -1.818) 9.250 4.561 ( 0.966 1.766 -0.428) 2.058 4.627 ( -0.812 -13.143 -3.099) 13.528 5.013 ( 0.072 0.718 -0.537) 0.900 5.105 ( 0.022 1.233 1.736) 2.129 5.636 ( -0.396 2.340 0.479) 2.421 5.690 ( 3.375 3.777 1.384) 5.251 5.708 ( -0.277 1.042 -1.215) 1.624 5.866 ( -0.241 6.842 -0.568) 6.870 10.145 ( -0.310 0.512 0.081) 0.604 10.872 ( -0.129 0.118 -0.404) 0.441 11.040 ( 0.353 -0.333 -0.088) 0.493 11.677 ( 0.045 -0.968 0.099) 0.974 14.554 ( -0.032 0.457 -0.027) 0.459 14.638 ( 0.215 0.137 -0.071) 0.265 33.330 ( -0.898 8.513 1.047) 8.624 33.820 ( -1.455 12.482 -0.380) 12.572 ======================= Grid point 178 (80/168) ======================= q-point: (-0.18 -0.64 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.488 ( 7.823 -7.954 -0.771) 11.183 1.613 ( -1.521 -3.480 -4.391) 5.806 1.937 ( -4.249 11.253 -1.409) 12.110 2.051 ( -4.697 -3.760 4.945) 7.788 2.197 ( 0.756 2.786 -3.685) 4.681 2.383 ( -0.103 -0.491 -5.116) 5.141 2.517 ( 0.634 -1.826 8.785) 8.995 2.599 ( 1.296 -7.942 3.062) 8.610 2.719 ( -0.165 0.187 1.003) 1.033 2.929 ( -5.414 -2.621 1.816) 6.283 2.980 ( -0.989 -1.333 -7.175) 7.364 3.006 ( 1.781 5.896 0.872) 6.220 3.070 ( 0.401 5.782 6.265) 8.535 3.252 ( 0.466 2.477 3.858) 4.608 3.569 ( 4.426 -0.112 1.297) 4.613 3.709 ( 3.145 -5.125 -6.270) 8.687 3.793 ( 1.176 -4.998 -5.100) 7.237 4.043 ( -2.749 2.592 0.586) 3.823 4.180 ( -1.756 2.961 1.990) 3.976 4.527 ( 0.207 -2.686 1.889) 3.290 4.603 ( -2.769 -6.509 -1.873) 7.317 4.819 ( 1.859 -7.781 -2.634) 8.422 4.982 ( -1.837 2.175 0.937) 2.997 5.054 ( 2.196 7.289 1.913) 7.850 5.551 ( 4.805 7.247 0.040) 8.695 5.712 ( -1.958 -5.810 -0.611) 6.162 5.746 ( -1.285 -5.779 -0.169) 5.922 5.767 ( -0.371 2.983 -0.040) 3.006 10.132 ( -0.226 0.691 0.022) 0.728 10.867 ( -0.063 0.236 -0.294) 0.382 11.045 ( 0.349 -0.062 -0.323) 0.479 11.692 ( 0.008 -0.593 0.059) 0.596 14.547 ( -0.043 0.189 0.060) 0.203 14.638 ( 0.136 0.028 -0.061) 0.151 33.208 ( -0.873 4.201 0.872) 4.379 33.620 ( -0.628 7.875 -0.250) 7.904 ======================= Grid point 180 (81/168) ======================= q-point: (-0.09 0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.202 5.400 -1.837) 5.707 1.659 ( 1.321 1.404 -2.587) 3.227 1.778 ( 6.147 -1.284 5.091) 8.084 1.965 ( 2.517 7.552 -0.670) 7.989 2.240 ( -8.396 -7.150 3.814) 11.668 2.358 ( 0.916 2.802 -5.947) 6.637 2.548 ( -1.441 2.588 -0.095) 2.964 2.599 ( 1.056 1.855 7.388) 7.690 2.764 ( -1.741 2.814 0.468) 3.342 2.939 ( -1.393 -0.639 3.493) 3.814 2.974 ( -0.079 -2.228 -0.970) 2.432 3.006 ( -0.242 -7.740 -3.465) 8.484 3.055 ( -1.180 -1.019 2.852) 3.251 3.247 ( -0.113 -0.129 1.483) 1.493 3.555 ( 1.589 2.396 -5.028) 5.792 3.786 ( 3.498 -2.707 -4.713) 6.463 3.858 ( 1.353 7.336 0.150) 7.462 3.890 ( 0.883 2.192 -2.869) 3.717 4.088 ( -0.633 7.312 1.666) 7.526 4.563 ( -2.490 5.148 1.940) 6.039 4.633 ( -1.470 -2.944 1.720) 3.713 4.777 ( 2.919 12.763 0.284) 13.096 4.956 ( 4.812 2.295 -0.773) 5.387 5.035 ( -2.478 -6.935 0.026) 7.364 5.495 ( 4.378 1.480 -0.410) 4.639 5.723 ( -0.187 1.145 -0.393) 1.225 5.813 ( -1.075 -5.499 2.106) 5.986 5.914 ( -7.293 -13.965 -1.852) 15.863 10.118 ( 0.217 0.729 -0.015) 0.761 10.860 ( 0.186 0.367 -0.182) 0.450 11.044 ( 0.323 0.238 -0.560) 0.689 11.698 ( -0.210 -0.063 -0.006) 0.219 14.547 ( 0.049 -0.055 0.105) 0.129 14.638 ( 0.091 0.025 -0.095) 0.134 33.181 ( 0.035 -1.338 1.186) 1.788 33.536 ( 2.411 1.597 -0.288) 2.906 ======================= Grid point 186 (82/168) ======================= q-point: ( 0.45 0.45 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( 3.845 0.000 -5.151) 6.428 1.428 ( 4.042 0.000 1.670) 4.374 1.601 ( 17.192 0.000 0.397) 17.196 1.903 ( 10.984 0.000 6.698) 12.865 1.937 ( -9.653 -0.000 -2.597) 9.996 1.953 ( -13.071 -0.000 4.106) 13.701 2.055 ( -5.456 -0.000 8.839) 10.388 2.341 ( -1.552 -0.000 -0.840) 1.765 2.648 ( 0.447 0.000 0.574) 0.727 2.734 ( -2.648 -0.000 1.902) 3.260 2.842 ( -4.606 -0.000 5.444) 7.131 2.948 ( 3.908 0.000 -2.272) 4.521 3.092 ( 4.895 0.000 -15.424) 16.182 3.132 ( -0.813 -0.000 -12.594) 12.620 3.256 ( -2.159 -0.000 -3.018) 3.711 3.470 ( 0.775 0.000 6.674) 6.719 3.688 ( 4.952 0.000 3.976) 6.351 3.849 ( -0.493 -0.000 -0.835) 0.969 3.905 ( -4.743 -0.000 9.586) 10.695 4.298 ( -2.116 -0.000 -3.475) 4.069 4.326 ( -0.146 -0.000 0.933) 0.944 4.586 ( 5.361 0.000 1.741) 5.637 5.015 ( 1.325 0.000 -4.525) 4.715 5.322 ( -4.213 -0.000 0.466) 4.239 5.748 ( -0.359 -0.000 0.011) 0.359 5.821 ( -2.189 -0.000 3.038) 3.744 5.926 ( 0.374 0.000 -0.012) 0.374 6.033 ( 0.262 0.000 -0.037) 0.265 10.159 ( 0.269 0.000 0.256) 0.371 10.879 ( 0.434 0.000 -0.402) 0.591 11.005 ( 0.338 0.000 -0.039) 0.340 11.615 ( -0.045 -0.000 0.019) 0.049 14.596 ( -0.170 -0.000 -0.245) 0.298 14.669 ( 0.035 0.000 -0.483) 0.484 33.875 ( 1.929 0.000 1.495) 2.441 34.585 ( 1.144 0.000 0.548) 1.268 ======================= Grid point 187 (83/168) ======================= q-point: (-0.45 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 2.114 3.565 -3.857) 5.662 1.448 ( -3.911 -1.353 0.977) 4.253 1.813 ( 9.938 -5.125 -1.600) 11.296 1.845 ( -7.090 -2.475 -1.127) 7.594 1.905 ( -10.737 -4.195 5.210) 12.650 2.120 ( 1.368 -9.833 5.881) 11.539 2.160 ( 3.747 -9.637 7.367) 12.696 2.375 ( -0.103 -4.683 -0.465) 4.707 2.613 ( -3.294 2.854 -0.137) 4.361 2.747 ( 1.290 -1.046 5.628) 5.868 2.881 ( -3.647 -3.897 2.353) 5.833 2.983 ( 0.116 3.033 -9.340) 9.821 3.069 ( 3.379 -5.026 -9.165) 10.986 3.107 ( 0.820 -5.777 -8.292) 10.140 3.273 ( 3.304 -3.045 -3.910) 5.956 3.459 ( -3.058 1.214 0.398) 3.314 3.728 ( 5.865 2.910 7.158) 9.701 3.831 ( -0.512 0.993 2.381) 2.630 3.920 ( -4.770 -1.316 6.780) 8.393 4.251 ( -3.759 0.466 -5.154) 6.396 4.367 ( -0.034 -3.574 0.536) 3.614 4.616 ( 4.963 2.258 3.441) 6.447 5.008 ( 1.756 -0.116 -4.434) 4.770 5.273 ( -2.622 2.495 -0.099) 3.621 5.721 ( -1.591 1.475 0.505) 2.228 5.806 ( 1.642 2.855 2.320) 4.029 5.918 ( 0.346 1.180 -0.123) 1.236 6.050 ( -0.159 -1.137 0.447) 1.232 10.160 ( -0.181 0.077 0.218) 0.293 10.878 ( 0.154 0.065 -0.443) 0.474 11.011 ( 0.101 -0.390 0.001) 0.403 11.621 ( -0.023 -0.639 0.035) 0.641 14.591 ( 0.164 0.522 -0.131) 0.563 14.664 ( 0.354 0.536 -0.413) 0.763 33.838 ( 0.475 5.724 2.056) 6.101 34.518 ( -0.657 7.427 0.014) 7.456 ======================= Grid point 188 (84/168) ======================= q-point: (-0.36 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.322 1.074 -4.983) 5.601 1.445 ( -8.364 -3.002 1.947) 9.098 1.793 ( -1.179 -0.201 0.401) 1.261 1.981 ( -0.748 -5.990 9.715) 11.438 2.016 ( -2.272 -9.928 -5.681) 11.662 2.300 ( 1.529 -6.383 4.386) 7.895 2.415 ( -0.052 -2.285 2.186) 3.162 2.472 ( 2.297 -8.182 2.891) 8.977 2.564 ( -5.206 -3.887 -3.932) 7.594 2.833 ( -0.822 -5.708 5.306) 7.837 2.887 ( 5.679 2.432 -0.792) 6.228 2.948 ( -2.291 -4.115 -2.403) 5.288 3.101 ( 6.853 -3.433 -11.366) 13.708 3.200 ( -7.213 -4.532 -4.548) 9.657 3.411 ( -4.324 -1.356 -2.481) 5.166 3.459 ( 7.321 -10.545 -1.496) 12.924 3.716 ( 3.629 5.841 9.528) 11.750 3.864 ( -0.286 -4.715 3.998) 6.188 3.944 ( -2.618 -1.653 4.507) 5.468 4.198 ( -3.935 -0.865 -5.008) 6.427 4.424 ( 0.471 -1.458 -0.875) 1.764 4.612 ( 2.232 1.700 2.143) 3.531 5.008 ( 1.392 -0.440 -3.423) 3.721 5.200 ( -1.343 3.556 -0.246) 3.809 5.688 ( -1.006 1.355 1.318) 2.141 5.766 ( 1.531 3.368 0.781) 3.781 5.887 ( 2.390 3.105 -0.324) 3.932 6.054 ( 0.459 1.562 0.744) 1.790 10.156 ( -0.580 0.141 0.191) 0.626 10.875 ( -0.145 0.090 -0.469) 0.499 11.021 ( 0.085 -0.632 0.059) 0.640 11.637 ( 0.071 -1.052 0.074) 1.057 14.579 ( 0.141 0.805 -0.152) 0.831 14.653 ( 0.432 0.674 -0.344) 0.871 33.699 ( -1.219 9.657 1.747) 9.889 34.318 ( -2.454 12.573 -0.158) 12.811 ======================= Grid point 189 (85/168) ======================= q-point: (-0.27 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -1.040 -3.417 -4.771) 5.960 1.468 ( -6.487 -4.707 1.899) 8.237 1.821 ( -2.420 -3.364 1.913) 4.564 2.126 ( 0.890 -6.771 -8.086) 10.584 2.173 ( -0.655 -9.009 9.349) 13.000 2.297 ( -3.100 6.341 5.158) 8.742 2.446 ( 3.644 -2.741 4.447) 6.369 2.521 ( 0.149 3.507 -5.607) 6.615 2.655 ( -4.442 -7.744 -1.800) 9.108 2.898 ( 3.663 1.595 -1.022) 4.123 2.928 ( 0.812 -1.123 0.084) 1.388 3.063 ( -1.180 -8.155 -0.633) 8.265 3.159 ( -1.703 -2.365 2.321) 3.725 3.295 ( 3.104 -11.685 -7.625) 14.293 3.391 ( -3.913 -0.700 1.971) 4.437 3.607 ( 3.953 -1.650 -5.506) 6.976 3.679 ( 2.593 3.271 8.314) 9.303 3.962 ( -0.840 -2.240 3.013) 3.847 4.048 ( -4.075 -8.545 3.059) 9.949 4.248 ( -1.039 -11.222 -1.719) 11.401 4.414 ( -1.839 -0.587 -3.513) 4.008 4.617 ( 2.145 0.562 0.622) 2.303 5.011 ( 0.210 -0.328 -1.946) 1.984 5.135 ( -0.396 2.441 0.109) 2.475 5.672 ( 0.119 0.755 1.579) 1.754 5.712 ( -0.301 3.061 -0.126) 3.078 5.838 ( 4.904 4.845 -0.642) 6.923 5.998 ( 2.102 6.018 0.757) 6.419 10.148 ( -0.828 0.224 0.147) 0.870 10.870 ( -0.305 0.030 -0.396) 0.501 11.034 ( 0.182 -0.574 -0.024) 0.603 11.659 ( 0.225 -1.130 0.117) 1.158 14.564 ( -0.001 0.725 -0.162) 0.743 14.644 ( 0.200 0.424 -0.290) 0.551 33.502 ( -2.343 10.450 1.038) 10.760 34.044 ( -4.008 13.910 -0.113) 14.476 ======================= Grid point 190 (86/168) ======================= q-point: (-0.18 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 4.887 -9.334 -0.074) 10.537 1.533 ( 0.277 -4.134 -0.475) 4.171 1.892 ( -6.680 -6.581 4.444) 10.377 2.101 ( -4.211 8.914 1.460) 9.966 2.209 ( 1.532 -4.037 -7.811) 8.925 2.396 ( -0.465 4.672 -4.999) 6.858 2.447 ( 1.985 -9.567 10.432) 14.293 2.539 ( 3.320 -1.223 6.122) 7.071 2.693 ( -3.744 -2.203 -3.451) 5.549 2.877 ( -1.165 0.334 -1.984) 2.324 2.928 ( -0.502 0.088 -3.269) 3.309 3.092 ( -1.638 1.873 0.601) 2.559 3.186 ( -0.399 2.556 4.512) 5.201 3.358 ( -0.951 4.397 3.651) 5.794 3.527 ( 5.017 -10.775 -5.574) 13.128 3.610 ( 0.362 -1.990 -0.671) 2.131 3.719 ( 2.648 -2.180 -5.419) 6.413 4.024 ( -0.997 -3.028 4.360) 5.402 4.124 ( -5.300 -4.060 3.274) 7.436 4.411 ( -1.946 -6.653 -1.152) 7.027 4.538 ( -0.724 -10.599 -2.844) 10.998 4.626 ( 1.758 -3.308 -0.065) 3.747 5.005 ( -0.632 0.371 -0.527) 0.902 5.109 ( -0.780 0.442 0.597) 1.078 5.641 ( -0.471 2.995 1.049) 3.208 5.686 ( -0.158 -0.825 -0.811) 1.168 5.781 ( 6.082 5.458 -0.378) 8.180 5.878 ( 3.049 8.922 0.985) 9.480 10.137 ( -0.767 0.300 0.082) 0.828 10.866 ( -0.241 -0.007 -0.249) 0.347 11.043 ( 0.242 -0.320 -0.249) 0.472 11.680 ( 0.274 -0.864 0.128) 0.915 14.552 ( -0.079 0.422 -0.071) 0.435 14.639 ( 0.010 0.091 -0.269) 0.284 33.314 ( -2.335 7.970 0.628) 8.329 33.778 ( -3.945 11.109 -0.108) 11.790 ======================= Grid point 191 (87/168) ======================= q-point: (-0.09 -0.55 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 2.252 -3.802 0.963) 4.522 1.638 ( 10.273 -7.793 3.591) 13.385 1.898 ( 0.005 8.291 0.013) 8.291 2.016 ( -7.765 -7.553 7.282) 13.053 2.145 ( -3.448 6.672 -2.965) 8.074 2.352 ( 2.549 -1.387 -5.913) 6.587 2.559 ( -1.714 0.765 3.616) 4.074 2.677 ( -0.790 0.737 -0.016) 1.081 2.694 ( 2.381 -9.058 2.263) 9.636 2.854 ( -6.715 -0.209 2.256) 7.087 2.898 ( -0.664 -1.162 -8.372) 8.479 3.042 ( 2.615 3.563 0.818) 4.494 3.114 ( -1.940 4.885 5.011) 7.262 3.266 ( -1.560 3.543 0.660) 3.927 3.602 ( 1.767 3.499 -4.346) 5.853 3.685 ( 2.406 -5.955 -7.287) 9.713 3.805 ( 3.175 -7.041 -1.085) 7.800 4.033 ( -0.544 4.192 2.659) 4.993 4.157 ( -3.502 -0.915 1.978) 4.125 4.548 ( -0.907 -5.890 1.097) 6.059 4.565 ( 0.734 -1.499 0.254) 1.688 4.815 ( -0.281 -10.589 -1.725) 10.733 4.968 ( -0.422 3.748 0.299) 3.784 5.077 ( -0.514 3.539 0.101) 3.578 5.630 ( 1.346 -0.055 0.211) 1.364 5.675 ( 1.112 1.466 -0.362) 1.875 5.748 ( 1.452 -0.103 0.409) 1.512 5.767 ( 0.508 3.741 0.873) 3.875 10.128 ( -0.338 0.318 0.024) 0.465 10.864 ( -0.002 0.049 -0.106) 0.117 11.046 ( 0.254 -0.016 -0.491) 0.553 11.694 ( 0.111 -0.365 0.097) 0.394 14.547 ( -0.069 0.099 0.052) 0.131 14.637 ( -0.030 -0.039 -0.304) 0.308 33.199 ( -1.265 3.146 0.782) 3.480 33.602 ( -1.552 5.341 -0.291) 5.570 ======================= Grid point 198 (88/168) ======================= q-point: (-0.45 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -6.009 -0.000 -5.334) 8.035 1.395 ( -7.837 -0.000 2.146) 8.126 1.666 ( -11.092 -0.000 2.059) 11.282 1.828 ( -1.651 -0.000 0.995) 1.927 1.895 ( 2.992 0.000 2.734) 4.053 2.093 ( 7.209 0.000 4.243) 8.365 2.107 ( 1.147 0.000 8.859) 8.933 2.317 ( -2.252 -0.000 -1.415) 2.660 2.629 ( -3.220 -0.000 0.018) 3.220 2.773 ( -9.099 -0.000 1.177) 9.175 2.777 ( 3.942 0.000 -0.473) 3.970 2.978 ( 2.260 0.000 1.317) 2.616 3.003 ( 2.217 0.000 -3.785) 4.386 3.076 ( 5.055 0.000 -15.177) 15.997 3.256 ( 5.017 0.000 -3.496) 6.115 3.426 ( -4.399 -0.000 -4.544) 6.325 3.843 ( 6.609 0.000 9.393) 11.485 3.844 ( 0.745 0.000 -0.877) 1.150 3.900 ( -7.088 -0.000 10.419) 12.601 4.210 ( -3.060 -0.000 -5.260) 6.086 4.331 ( -0.223 -0.000 1.020) 1.044 4.679 ( 2.120 0.000 2.454) 3.243 5.003 ( 2.355 0.000 -4.700) 5.257 5.278 ( -1.491 -0.000 -1.005) 1.798 5.720 ( -2.358 -0.000 1.054) 2.583 5.884 ( 5.933 0.000 3.055) 6.673 5.925 ( -0.426 -0.000 -0.025) 0.426 6.033 ( -0.252 -0.000 -0.044) 0.256 10.158 ( -0.677 -0.000 0.243) 0.719 10.878 ( -0.015 -0.000 -0.418) 0.418 11.006 ( -0.271 -0.000 -0.034) 0.273 11.615 ( 0.022 0.000 0.019) 0.030 14.597 ( 0.293 0.000 -0.176) 0.342 14.671 ( 0.780 0.000 -0.507) 0.931 33.899 ( -1.363 -0.000 2.089) 2.494 34.578 ( -1.918 -0.000 0.333) 1.946 ======================= Grid point 199 (89/168) ======================= q-point: (-0.36 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.243 ( -10.202 1.649 -4.769) 11.381 1.345 ( -11.381 -0.768 4.626) 12.309 1.708 ( -11.814 -9.858 5.635) 16.386 1.853 ( 3.557 -1.044 -0.023) 3.707 1.948 ( 4.573 -3.149 1.964) 5.889 2.193 ( 0.963 -5.572 2.990) 6.396 2.273 ( 3.562 -9.906 4.314) 11.377 2.334 ( -5.816 -7.345 -1.559) 9.497 2.562 ( -2.321 4.189 0.448) 4.810 2.739 ( -5.580 -2.474 -2.041) 6.436 2.845 ( -3.307 -6.029 -1.873) 7.127 2.994 ( 6.514 1.839 -1.686) 6.975 3.043 ( 4.211 0.403 -9.092) 10.028 3.068 ( 2.402 -3.893 0.340) 4.587 3.305 ( 3.502 -2.794 -4.181) 6.128 3.398 ( 0.494 -2.180 -2.151) 3.102 3.828 ( -1.727 1.895 3.224) 4.119 3.903 ( 3.907 1.226 9.462) 10.310 3.916 ( -2.127 -0.903 6.580) 6.974 4.156 ( -2.566 1.011 -5.527) 6.177 4.373 ( 0.239 -3.477 0.422) 3.510 4.665 ( -1.478 2.116 0.134) 2.584 5.001 ( 2.164 -0.010 -4.042) 4.585 5.245 ( -0.480 2.296 -1.089) 2.586 5.704 ( -1.206 0.808 1.543) 2.119 5.862 ( 1.914 4.554 1.010) 5.042 5.944 ( 4.050 1.034 -0.064) 4.180 6.060 ( 1.269 -1.865 1.178) 2.545 10.152 ( -1.090 0.051 0.266) 1.123 10.874 ( -0.239 0.150 -0.406) 0.495 11.008 ( -0.376 -0.589 -0.011) 0.699 11.622 ( 0.105 -0.680 0.042) 0.689 14.592 ( 0.142 0.574 -0.357) 0.690 14.669 ( 0.848 0.662 -0.588) 1.226 33.834 ( -3.494 5.723 1.170) 6.806 34.490 ( -2.999 7.914 0.950) 8.517 ======================= Grid point 200 (90/168) ======================= q-point: (-0.27 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -7.596 -2.351 -5.015) 9.401 1.324 ( -12.609 -4.658 6.987) 15.149 1.792 ( -2.808 -1.829 4.904) 5.939 1.942 ( -0.277 -6.922 -5.043) 8.569 2.093 ( 5.001 -7.517 6.419) 11.078 2.314 ( -5.665 -9.818 -1.078) 11.386 2.404 ( -3.447 1.171 4.074) 5.464 2.489 ( -0.116 -5.146 -1.206) 5.287 2.523 ( 3.485 -4.257 1.415) 5.680 2.806 ( -3.930 -11.632 -4.027) 12.922 2.915 ( -0.694 -2.571 0.201) 2.670 2.982 ( 3.330 3.315 -0.830) 4.771 3.048 ( -1.577 -6.937 -9.952) 12.234 3.145 ( 3.745 -1.614 3.111) 5.129 3.331 ( -1.639 -1.486 -2.573) 3.394 3.544 ( 5.186 -8.061 -1.293) 9.672 3.795 ( -3.306 1.283 6.894) 7.753 3.922 ( 1.280 0.844 3.377) 3.708 3.962 ( 1.184 -1.028 5.699) 5.911 4.118 ( -1.386 -1.981 -3.004) 3.856 4.411 ( -1.104 0.490 -2.250) 2.554 4.624 ( -0.847 -0.479 -0.411) 1.057 5.000 ( 1.060 -0.052 -2.722) 2.922 5.185 ( -0.280 3.211 -0.534) 3.267 5.691 ( 0.437 0.937 1.238) 1.613 5.790 ( 0.660 4.443 0.519) 4.522 5.933 ( 3.691 2.747 -1.457) 4.826 6.100 ( 5.026 1.378 2.058) 5.603 10.143 ( -1.359 0.070 0.243) 1.382 10.867 ( -0.454 0.116 -0.340) 0.580 11.020 ( -0.152 -0.863 -0.065) 0.879 11.641 ( 0.338 -1.130 0.110) 1.185 14.577 ( -0.031 0.818 -0.408) 0.915 14.656 ( 0.302 0.865 -0.614) 1.103 33.664 ( -4.887 9.188 0.086) 10.408 34.264 ( -5.265 13.397 1.130) 14.438 ======================= Grid point 201 (91/168) ======================= q-point: (-0.18 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( -1.406 -9.691 -1.625) 9.926 1.409 ( -6.247 -8.938 6.185) 12.537 1.809 ( -2.385 -0.764 3.984) 4.706 2.042 ( -1.585 -8.245 -6.960) 10.905 2.231 ( 0.512 5.499 2.164) 5.931 2.367 ( 3.357 -4.850 8.124) 10.040 2.420 ( -5.592 -3.352 -1.859) 6.780 2.549 ( 0.979 -1.988 -0.810) 2.360 2.621 ( 2.865 -1.957 3.639) 5.028 2.870 ( -2.104 -0.288 -7.629) 7.919 2.945 ( -0.347 1.066 0.166) 1.133 3.016 ( -0.620 -7.912 -3.263) 8.581 3.187 ( 1.484 -4.282 3.908) 5.985 3.253 ( -7.029 -12.925 -2.048) 14.855 3.357 ( 2.574 -2.949 -0.216) 3.920 3.597 ( 2.162 1.995 -6.796) 7.405 3.771 ( 0.073 3.568 6.344) 7.279 3.978 ( -1.127 -3.213 -0.565) 3.452 4.037 ( -0.314 -5.573 5.137) 7.586 4.230 ( -0.739 -12.255 1.299) 12.346 4.337 ( -4.425 1.230 -3.968) 6.069 4.657 ( 3.181 -0.444 0.226) 3.220 4.993 ( -0.426 -0.035 -1.610) 1.666 5.131 ( -0.268 2.159 -0.125) 2.180 5.681 ( 0.353 1.132 -1.105) 1.621 5.720 ( 0.636 3.782 2.316) 4.480 5.887 ( 2.884 3.987 -2.137) 5.365 6.088 ( 8.544 6.513 2.230) 10.972 10.133 ( -1.353 0.026 0.162) 1.363 10.862 ( -0.453 -0.087 -0.200) 0.503 11.034 ( 0.071 -0.675 -0.270) 0.731 11.666 ( 0.560 -1.102 0.165) 1.247 14.561 ( -0.122 0.672 -0.268) 0.733 14.641 ( -0.111 0.430 -0.504) 0.672 33.452 ( -4.823 9.281 -0.312) 10.464 33.966 ( -7.053 13.584 0.764) 15.325 ======================= Grid point 202 (92/168) ======================= q-point: (-0.09 -0.45 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 1.969 -13.712 5.417) 14.874 1.596 ( 5.889 -9.465 1.808) 11.293 1.841 ( -5.680 -3.894 6.847) 9.711 2.067 ( -3.114 8.758 1.312) 9.388 2.148 ( -0.350 -4.144 -7.093) 8.222 2.334 ( -3.590 2.385 -3.052) 5.281 2.532 ( -1.780 -4.137 -0.485) 4.530 2.592 ( 3.003 -1.337 4.869) 5.875 2.683 ( 1.889 -2.156 3.762) 4.730 2.833 ( 0.163 -0.019 -5.739) 5.741 2.898 ( -1.678 3.607 0.929) 4.085 3.078 ( -0.436 -1.322 -1.192) 1.833 3.197 ( -1.542 4.123 1.986) 4.829 3.354 ( -2.226 3.845 2.125) 4.925 3.525 ( -3.650 -16.891 -2.097) 17.407 3.569 ( 4.636 -3.379 -9.440) 11.047 3.722 ( 1.789 3.749 -3.722) 5.577 4.060 ( -0.794 -4.866 3.313) 5.940 4.100 ( -2.386 0.062 5.622) 6.107 4.355 ( -2.539 -8.948 -1.810) 9.476 4.515 ( -1.704 -16.105 0.434) 16.200 4.659 ( 2.493 2.291 0.390) 3.408 4.986 ( -1.129 -0.349 -0.738) 1.393 5.098 ( -0.674 1.351 -0.218) 1.526 5.621 ( -2.292 3.041 -0.705) 3.873 5.703 ( 1.746 0.834 1.599) 2.510 5.819 ( 1.739 3.989 -1.984) 4.783 6.003 ( 10.338 11.320 2.191) 15.486 10.125 ( -0.974 -0.077 0.071) 0.980 10.862 ( -0.244 -0.212 -0.063) 0.329 11.043 ( 0.170 -0.334 -0.495) 0.621 11.687 ( 0.503 -0.654 0.150) 0.839 14.550 ( -0.144 0.329 -0.080) 0.368 14.635 ( -0.110 0.017 -0.401) 0.416 33.274 ( -3.376 6.296 0.143) 7.146 33.706 ( -5.944 9.029 0.169) 10.811 ======================= Grid point 210 (93/168) ======================= q-point: (-0.36 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( -14.495 -0.000 -5.637) 15.553 1.281 ( -13.450 -0.000 6.355) 14.876 1.534 ( -11.103 -0.000 10.266) 15.121 1.893 ( 4.383 0.000 6.614) 7.935 1.940 ( 1.490 0.000 -0.711) 1.651 2.135 ( -10.441 -0.000 -7.912) 13.100 2.171 ( 1.626 0.000 -2.158) 2.702 2.249 ( 2.054 0.000 4.841) 5.258 2.593 ( -1.642 -0.000 1.980) 2.572 2.626 ( -9.526 -0.000 -0.493) 9.539 2.767 ( 0.443 0.000 -3.914) 3.939 2.994 ( 2.291 0.000 -13.984) 14.170 3.056 ( 4.329 0.000 4.687) 6.380 3.147 ( 10.697 0.000 4.049) 11.438 3.307 ( 6.056 0.000 -4.515) 7.554 3.373 ( 1.832 0.000 0.061) 1.833 3.856 ( 1.952 0.000 -0.926) 2.161 3.876 ( -7.999 -0.000 11.039) 13.633 4.005 ( 3.900 0.000 7.382) 8.349 4.135 ( -0.787 -0.000 -4.408) 4.478 4.336 ( -0.290 -0.000 0.989) 1.031 4.650 ( -5.949 -0.000 -3.327) 6.816 5.002 ( 2.547 0.000 -3.841) 4.609 5.263 ( 0.429 0.000 -1.138) 1.216 5.716 ( 0.468 0.000 2.111) 2.162 5.914 ( -1.095 -0.000 -0.008) 1.095 6.024 ( 9.570 0.000 1.641) 9.709 6.025 ( -0.691 -0.000 -0.025) 0.691 10.144 ( -1.485 -0.000 0.373) 1.532 10.872 ( -0.256 -0.000 -0.355) 0.438 10.997 ( -0.788 -0.000 -0.045) 0.789 11.616 ( 0.084 0.000 0.023) 0.087 14.596 ( 0.023 0.000 -0.666) 0.666 14.680 ( 0.996 0.000 -0.865) 1.319 33.854 ( -6.171 -0.000 -0.379) 6.182 34.557 ( -2.059 -0.000 2.607) 3.322 ======================= Grid point 211 (94/168) ======================= q-point: (-0.27 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( -14.009 -1.442 -4.082) 14.662 1.204 ( -15.633 -0.874 6.950) 17.131 1.634 ( -9.072 -11.810 11.029) 18.531 1.908 ( 3.338 0.498 -2.154) 4.004 1.972 ( -8.849 -3.046 -5.823) 11.022 2.106 ( -1.130 -7.941 2.599) 8.432 2.289 ( -0.250 -12.777 -2.890) 13.102 2.353 ( 2.745 -5.336 4.531) 7.519 2.562 ( 0.358 3.454 1.397) 3.743 2.626 ( -6.341 -4.925 0.107) 8.030 2.792 ( -0.817 -4.289 -0.459) 4.390 2.954 ( 1.461 -0.386 -11.941) 12.036 3.089 ( 5.451 2.982 1.699) 6.442 3.201 ( 6.342 1.745 1.758) 6.809 3.326 ( 4.169 0.463 -0.900) 4.290 3.448 ( 4.395 -4.547 2.340) 6.743 3.818 ( -3.638 2.279 4.320) 6.090 3.923 ( -2.007 -2.359 5.216) 6.066 4.023 ( 1.111 1.427 0.208) 1.821 4.112 ( 2.426 1.532 1.540) 3.256 4.377 ( -0.420 -2.621 -0.535) 2.708 4.575 ( -6.618 -0.839 -4.694) 8.157 5.003 ( 2.196 0.306 -2.858) 3.617 5.237 ( -0.178 2.537 -0.080) 2.545 5.728 ( 2.532 1.081 1.992) 3.398 5.869 ( -0.791 3.530 0.263) 3.627 5.988 ( 1.713 2.042 -1.414) 3.017 6.140 ( 7.865 -2.589 1.276) 8.378 10.134 ( -1.734 0.047 0.437) 1.789 10.866 ( -0.444 0.269 -0.317) 0.608 11.000 ( -0.633 -0.906 -0.089) 1.109 11.625 ( 0.267 -0.840 0.070) 0.884 14.587 ( -0.072 0.535 -0.742) 0.918 14.672 ( 0.350 0.926 -1.030) 1.429 33.747 ( -7.919 5.068 -1.759) 9.564 34.460 ( -3.482 10.060 3.129) 11.096 ======================= Grid point 212 (95/168) ======================= q-point: (-0.18 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -7.680 -8.111 -5.107) 12.282 1.206 ( -13.674 -8.223 10.317) 19.001 1.786 ( -5.222 -4.059 7.249) 9.813 1.899 ( 0.346 -2.478 -7.011) 7.444 2.113 ( -8.230 -19.178 -2.608) 21.031 2.289 ( 6.604 -6.179 4.240) 9.989 2.414 ( -1.438 4.520 6.343) 7.920 2.491 ( 0.650 -6.893 -0.493) 6.941 2.564 ( -2.257 -7.900 -5.310) 9.783 2.694 ( -2.180 -4.804 1.477) 5.479 2.890 ( -2.635 -5.702 1.981) 6.586 2.951 ( -1.524 -5.344 -8.246) 9.944 3.047 ( 5.758 4.226 -0.525) 7.161 3.219 ( 2.358 -0.006 1.761) 2.943 3.354 ( 3.984 -0.293 2.209) 4.565 3.576 ( 0.790 -4.415 -1.519) 4.736 3.778 ( -4.574 -0.591 4.325) 6.323 3.928 ( -1.832 1.262 2.321) 3.215 4.004 ( 1.743 -0.242 -4.714) 5.032 4.157 ( 3.291 -1.816 6.993) 7.939 4.319 ( -7.043 2.774 -5.405) 9.302 4.630 ( 3.260 -5.254 -0.266) 6.189 4.994 ( 0.987 0.806 -1.856) 2.251 5.178 ( -0.991 3.227 0.935) 3.503 5.719 ( 1.897 2.433 -0.848) 3.200 5.801 ( 0.442 3.529 1.909) 4.036 5.954 ( 1.528 2.482 -1.821) 3.437 6.234 ( 10.565 0.716 1.206) 10.657 10.122 ( -1.798 -0.005 0.342) 1.830 10.856 ( -0.621 0.079 -0.204) 0.659 11.016 ( -0.111 -1.093 -0.301) 1.139 11.650 ( 0.741 -1.286 0.168) 1.494 14.572 ( -0.151 0.731 -0.510) 0.904 14.649 ( -0.274 0.902 -0.770) 1.217 33.560 ( -7.875 7.568 -1.973) 11.099 34.182 ( -8.305 15.500 2.151) 17.715 ======================= Grid point 213 (96/168) ======================= q-point: (-0.09 -0.36 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.348 -16.842 -0.342) 16.849 1.382 ( -7.439 -13.502 10.232) 18.503 1.822 ( -1.388 -1.304 3.836) 4.283 1.968 ( 0.375 -7.083 -7.131) 10.058 2.210 ( -7.345 4.048 -4.521) 9.528 2.326 ( 0.414 2.592 3.199) 4.138 2.491 ( 1.976 -5.007 3.640) 6.498 2.560 ( 1.749 -2.983 0.824) 3.554 2.703 ( 1.473 -6.608 -2.460) 7.204 2.754 ( -4.038 -4.222 2.862) 6.505 2.937 ( -0.805 -0.272 1.198) 1.468 3.000 ( 0.280 -4.715 -2.337) 5.270 3.115 ( -4.753 -10.730 -3.471) 12.238 3.256 ( 2.468 0.575 2.204) 3.358 3.411 ( 1.450 -1.046 3.949) 4.335 3.559 ( 1.469 2.155 -7.453) 7.896 3.784 ( -1.536 1.416 -1.160) 2.389 3.936 ( -3.759 -5.090 1.922) 6.613 4.073 ( 1.757 -6.284 -1.945) 6.809 4.212 ( -5.332 -2.918 -5.088) 7.927 4.277 ( -0.379 -5.220 8.442) 9.933 4.717 ( 4.468 -0.150 0.159) 4.473 4.977 ( 0.285 0.604 -1.455) 1.601 5.126 ( -0.736 2.099 0.973) 2.428 5.657 ( -1.452 3.181 -2.628) 4.374 5.768 ( 2.240 2.815 2.939) 4.645 5.899 ( 1.352 3.962 -1.338) 4.395 6.259 ( 12.090 6.493 0.894) 13.752 10.113 ( -1.517 -0.249 0.161) 1.546 10.854 ( -0.484 -0.280 -0.079) 0.565 11.032 ( 0.153 -0.723 -0.553) 0.923 11.678 ( 0.922 -0.970 0.160) 1.347 14.556 ( -0.215 0.565 -0.273) 0.663 14.635 ( -0.114 0.284 -0.325) 0.447 33.364 ( -6.041 6.944 -0.943) 9.252 33.850 ( -9.894 12.788 1.053) 16.203 ======================= Grid point 222 (97/168) ======================= q-point: (-0.27 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -17.689 -0.000 -3.184) 17.974 1.089 ( -20.397 -0.000 6.156) 21.306 1.432 ( -19.131 -0.000 2.619) 19.309 1.887 ( -6.381 -0.000 -1.597) 6.578 1.936 ( -1.004 -0.000 -0.736) 1.244 2.031 ( 3.546 0.000 10.365) 10.955 2.094 ( -4.700 -0.000 -9.165) 10.300 2.372 ( 8.058 0.000 2.999) 8.597 2.526 ( -3.999 -0.000 0.362) 4.015 2.611 ( 0.647 0.000 2.755) 2.830 2.779 ( 2.647 0.000 1.978) 3.305 2.917 ( 1.871 0.000 -10.362) 10.530 3.166 ( 5.013 0.000 4.214) 6.548 3.283 ( 7.658 0.000 -2.234) 7.977 3.349 ( 4.755 0.000 -3.883) 6.139 3.475 ( 4.286 0.000 7.795) 8.896 3.859 ( -7.614 -0.000 12.158) 14.346 3.884 ( 2.888 0.000 -0.982) 3.050 4.026 ( 0.051 0.000 -5.411) 5.411 4.170 ( 3.201 0.000 4.581) 5.589 4.339 ( -0.465 -0.000 0.796) 0.922 4.465 ( -11.084 -0.000 -8.554) 14.001 5.014 ( 2.711 0.000 -2.283) 3.545 5.264 ( -0.530 -0.000 1.998) 2.067 5.778 ( 4.938 0.000 2.704) 5.630 5.895 ( -1.438 -0.000 0.018) 1.438 6.013 ( -0.938 -0.000 -0.000) 0.938 6.161 ( 9.025 0.000 -3.013) 9.514 10.124 ( -1.849 -0.000 0.734) 1.989 10.865 ( -0.300 -0.000 -0.404) 0.503 10.983 ( -1.040 -0.000 -0.057) 1.042 11.618 ( 0.117 0.000 0.025) 0.119 14.588 ( -0.076 -0.000 -0.843) 0.846 14.679 ( 0.023 0.000 -1.398) 1.399 33.716 ( -9.959 -0.000 -3.248) 10.475 34.569 ( -0.524 -0.000 4.118) 4.152 ======================= Grid point 223 (98/168) ======================= q-point: (-0.18 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( -15.129 -4.694 -4.475) 16.460 0.994 ( -19.572 -5.712 4.577) 20.896 1.473 ( -23.255 -20.769 3.816) 31.412 1.819 ( -4.100 2.659 3.498) 6.009 1.919 ( 4.641 -1.074 -6.530) 8.083 2.143 ( -5.000 -10.830 -1.098) 11.979 2.264 ( 1.730 -14.088 3.229) 14.556 2.438 ( 4.310 -0.404 1.008) 4.445 2.571 ( 0.154 2.200 3.091) 3.797 2.600 ( 0.722 -4.470 -0.501) 4.555 2.825 ( 2.394 -1.441 4.547) 5.337 2.888 ( 1.366 0.305 -6.908) 7.048 3.193 ( 5.944 4.420 1.617) 7.581 3.258 ( 3.086 3.638 -1.519) 5.007 3.379 ( 3.141 -1.010 -1.320) 3.554 3.530 ( 0.939 -0.760 5.136) 5.277 3.806 ( -3.483 3.392 5.979) 7.706 3.938 ( -1.261 -0.802 3.707) 3.997 3.987 ( 0.964 0.485 -6.828) 6.913 4.186 ( -1.423 0.720 -1.816) 2.417 4.291 ( -5.260 1.786 -1.115) 5.665 4.507 ( 2.712 -10.200 -1.141) 10.616 5.017 ( 2.295 0.949 -1.373) 2.838 5.242 ( -1.261 3.270 5.031) 6.131 5.786 ( 2.157 3.770 -1.486) 4.590 5.868 ( 0.868 1.905 2.876) 3.557 5.987 ( 0.193 1.325 -1.354) 1.905 6.269 ( 10.158 -4.958 -3.352) 11.790 10.112 ( -1.879 0.189 0.794) 2.049 10.855 ( -0.613 0.409 -0.403) 0.840 10.991 ( -0.408 -1.341 -0.239) 1.422 11.631 ( 0.593 -1.243 0.093) 1.380 14.580 ( -0.157 0.495 -0.547) 0.754 14.661 ( -0.498 0.922 -1.113) 1.529 33.588 ( -10.107 3.908 -3.237) 11.309 34.426 ( -5.753 15.012 2.652) 16.294 ======================= Grid point 224 (99/168) ======================= q-point: (-0.09 -0.27 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -6.727 -16.194 -5.269) 18.310 1.107 ( -13.006 -14.094 12.363) 22.817 1.761 ( -5.399 -7.082 5.262) 10.343 1.801 ( -6.070 -12.292 -4.694) 14.491 2.008 ( -0.567 -9.730 -5.611) 11.246 2.323 ( -7.109 -12.137 -4.160) 14.668 2.425 ( -4.946 -0.634 -3.609) 6.155 2.498 ( -0.493 -8.261 2.735) 8.716 2.506 ( 5.379 4.792 7.949) 10.728 2.751 ( 3.169 -5.705 2.141) 6.869 2.883 ( -0.231 -2.340 -1.693) 2.898 2.898 ( -0.139 -2.815 3.225) 4.283 3.109 ( 4.251 4.583 -1.730) 6.486 3.277 ( 3.579 -0.933 1.375) 3.946 3.423 ( 1.969 -1.784 2.492) 3.642 3.545 ( -2.215 -0.333 -2.475) 3.338 3.753 ( -2.562 1.690 2.083) 3.709 3.915 ( -4.079 2.010 3.416) 5.687 3.979 ( 1.935 -2.346 -6.288) 6.985 4.103 ( -7.189 -0.942 -10.212) 12.524 4.298 ( 1.566 -0.056 8.581) 8.723 4.704 ( 6.688 -5.748 -1.543) 8.952 5.000 ( 1.490 1.683 -0.779) 2.379 5.183 ( -1.340 3.979 5.473) 6.898 5.693 ( -2.152 3.593 -4.170) 5.910 5.855 ( 2.790 3.181 3.028) 5.203 5.960 ( 0.814 2.003 -0.114) 2.165 6.410 ( 13.721 -0.496 -2.258) 13.914 10.098 ( -1.842 -0.016 0.434) 1.892 10.845 ( -0.702 -0.091 -0.210) 0.738 11.014 ( 0.316 -1.176 -0.638) 1.375 11.666 ( 1.333 -1.380 0.059) 1.919 14.565 ( -0.332 0.681 -0.418) 0.866 14.641 ( -0.076 0.541 -0.124) 0.560 33.421 ( -8.168 5.354 -1.360) 9.861 34.040 ( -13.602 16.837 1.445) 21.693 ======================= Grid point 235 (100/168) ======================= q-point: (-0.18 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.593 ( -19.182 -0.000 2.910) 19.401 0.732 ( -25.465 -0.000 -16.283) 30.226 1.080 ( -32.598 -0.000 19.225) 37.844 1.895 ( -5.194 -0.000 3.807) 6.440 1.918 ( -5.892 -0.000 -11.409) 12.840 1.927 ( 8.000 0.000 -4.270) 9.068 2.158 ( 0.422 0.000 11.322) 11.330 2.481 ( 5.052 0.000 -7.785) 9.281 2.496 ( 0.095 0.000 -1.507) 1.510 2.659 ( 2.582 0.000 5.659) 6.220 2.863 ( 3.898 0.000 4.043) 5.616 2.887 ( 1.607 0.000 -1.090) 1.942 3.262 ( 4.695 0.000 1.347) 4.885 3.360 ( 6.147 0.000 -4.482) 7.608 3.383 ( 2.675 0.000 -0.969) 2.846 3.564 ( 1.273 0.000 3.900) 4.102 3.871 ( -5.137 -0.000 12.530) 13.542 3.920 ( 3.153 0.000 -0.975) 3.300 3.986 ( 1.939 0.000 -6.846) 7.115 4.122 ( -10.708 -0.000 -10.211) 14.796 4.329 ( 0.453 0.000 3.044) 3.078 4.335 ( -0.719 -0.000 0.481) 0.866 5.043 ( 3.022 0.000 -0.710) 3.105 5.317 ( 1.330 0.000 13.665) 13.729 5.874 ( -1.342 -0.000 0.033) 1.342 5.885 ( 6.022 0.000 1.792) 6.283 5.999 ( -0.905 -0.000 0.002) 0.905 6.200 ( 3.718 0.000 -12.642) 13.178 10.108 ( -1.343 -0.000 1.400) 1.939 10.855 ( -0.398 -0.000 -0.971) 1.050 10.968 ( -0.945 -0.000 -0.056) 0.947 11.619 ( 0.107 0.000 0.018) 0.108 14.582 ( -0.223 -0.000 -0.051) 0.229 14.661 ( -0.547 -0.000 -1.143) 1.267 33.533 ( -10.449 -0.000 -2.692) 10.790 34.591 ( -0.033 -0.000 -0.371) 0.373 ======================= Grid point 236 (101/168) ======================= q-point: (-0.09 -0.18 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -15.393 -10.829 -9.222) 20.959 0.767 ( -16.172 -17.178 8.142) 24.958 1.199 ( -23.302 -26.530 16.506) 38.978 1.776 ( -4.385 3.534 -1.051) 5.730 1.938 ( 4.199 -2.269 -10.356) 11.403 2.030 ( -2.752 -10.454 -3.142) 11.257 2.311 ( -3.116 -8.415 4.469) 10.024 2.404 ( -3.359 1.631 -7.322) 8.219 2.595 ( 1.689 -9.445 -2.287) 9.864 2.675 ( 4.213 3.825 8.067) 9.872 2.881 ( 1.852 0.772 -1.569) 2.547 2.916 ( 1.639 0.051 7.651) 7.825 3.247 ( 1.461 9.037 -3.418) 9.772 3.306 ( 3.878 0.164 1.241) 4.075 3.397 ( 0.797 -0.888 -0.695) 1.381 3.542 ( -1.955 1.897 -0.228) 2.734 3.829 ( -0.335 4.825 2.070) 5.261 3.913 ( -10.241 1.921 3.118) 10.876 3.957 ( 3.221 0.293 -6.950) 7.666 3.992 ( -4.694 -1.236 -6.080) 7.780 4.337 ( 1.308 -0.151 5.003) 5.173 4.574 ( 7.964 -13.505 -4.924) 16.433 5.047 ( 2.409 1.636 0.009) 2.912 5.327 ( 1.042 8.100 16.943) 18.809 5.721 ( -4.959 5.225 -6.788) 9.897 5.944 ( 2.481 2.645 3.413) 4.980 5.983 ( 0.849 -0.142 0.640) 1.073 6.381 ( 13.894 -13.029 -9.830) 21.434 10.095 ( -1.653 0.837 1.048) 2.129 10.839 ( -0.951 0.303 -0.688) 1.212 10.987 ( 0.507 -1.833 -0.752) 2.045 11.645 ( 1.414 -1.990 -0.264) 2.455 14.573 ( -0.541 0.698 -0.102) 0.889 14.650 ( 0.048 0.422 0.190) 0.465 33.432 ( -7.992 2.710 1.157) 8.518 34.288 ( -15.912 22.018 -1.228) 27.194 ======================= Grid point 247 (102/168) ======================= q-point: (-0.09 -0.09 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.166 ( -21.582 -0.000 -8.943) 23.362 0.401 ( -15.678 -0.000 15.582) 22.104 0.860 ( -30.695 -0.000 35.640) 47.036 1.752 ( -1.979 -0.000 -13.280) 13.426 1.827 ( -4.127 -0.000 -2.934) 5.063 2.001 ( 6.331 0.000 -4.915) 8.014 2.225 ( -3.788 -0.000 10.135) 10.820 2.345 ( -7.132 -0.000 -12.503) 14.394 2.500 ( 2.521 0.000 -2.259) 3.385 2.763 ( 3.076 0.000 5.300) 6.128 2.898 ( 1.234 0.000 -1.111) 1.660 2.958 ( -1.237 -0.000 8.856) 8.942 3.330 ( 4.246 0.000 -0.299) 4.257 3.338 ( -1.201 -0.000 -11.489) 11.552 3.403 ( -0.393 -0.000 1.076) 1.145 3.584 ( 3.714 0.000 -10.753) 11.376 3.844 ( -7.923 -0.000 -13.456) 15.616 3.934 ( -0.951 -0.000 13.677) 13.710 3.955 ( 2.491 0.000 -0.849) 2.632 3.990 ( -0.008 -0.000 -2.961) 2.961 4.327 ( -0.793 -0.000 0.178) 0.813 4.361 ( -0.792 -0.000 2.230) 2.366 5.081 ( 2.153 0.000 0.102) 2.156 5.637 ( 14.094 0.000 16.619) 21.790 5.858 ( -0.814 -0.000 0.034) 0.815 5.923 ( 2.447 0.000 -5.131) 5.685 5.988 ( -0.566 -0.000 -0.022) 0.566 6.052 ( -4.389 -0.000 -2.847) 5.231 10.109 ( -0.302 -0.000 0.237) 0.384 10.831 ( -1.294 -0.000 -1.498) 1.980 10.956 ( -0.542 -0.000 -0.042) 0.543 11.621 ( 0.057 0.000 0.006) 0.058 14.579 ( -0.522 -0.000 0.311) 0.608 14.658 ( 0.244 0.000 0.869) 0.903 33.444 ( 0.310 0.000 10.466) 10.470 34.471 ( -12.076 -0.000 -16.607) 20.533 ======================= Grid point 248 (103/168) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -1.665 -0.000 21.566) 21.630 1.004 ( 10.056 0.000 21.969) 24.161 1.292 ( 2.376 0.000 -19.370) 19.515 1.442 ( -9.791 -0.000 -15.499) 18.332 1.616 ( -6.190 -0.000 32.102) 32.693 1.985 ( 8.231 0.000 -5.703) 10.014 2.356 ( -3.202 -0.000 3.915) 5.058 2.398 ( 0.531 0.000 1.355) 1.455 2.493 ( 2.434 0.000 -1.513) 2.866 2.623 ( 4.784 0.000 -20.862) 21.403 2.801 ( -1.892 -0.000 -2.272) 2.956 2.902 ( -0.453 -0.000 -1.980) 2.031 3.196 ( -8.228 -0.000 10.611) 13.428 3.387 ( -0.453 -0.000 0.380) 0.591 3.398 ( 0.093 0.000 0.295) 0.309 3.409 ( 3.359 0.000 -2.156) 3.992 3.605 ( 0.605 0.000 -4.627) 4.666 3.826 ( -2.105 -0.000 -2.647) 3.382 3.962 ( 0.627 0.000 -0.418) 0.754 4.201 ( 2.364 0.000 1.656) 2.886 4.317 ( -0.313 -0.000 -0.023) 0.313 4.413 ( -0.828 -0.000 2.962) 3.075 5.107 ( -0.059 -0.000 0.193) 0.202 5.344 ( -3.071 -0.000 -0.325) 3.088 5.853 ( -0.009 -0.000 0.020) 0.022 5.983 ( -0.004 -0.000 -0.028) 0.028 6.159 ( -6.531 -0.000 6.793) 9.423 6.305 ( 10.116 0.000 -5.890) 11.705 10.073 ( -0.667 -0.000 0.018) 0.667 10.822 ( 0.449 0.000 -0.163) 0.477 10.952 ( 0.021 0.000 -0.019) 0.028 11.621 ( -0.007 -0.000 -0.002) 0.008 14.573 ( -0.047 -0.000 0.003) 0.047 14.653 ( -0.228 -0.000 -0.047) 0.232 33.808 ( 4.564 0.000 0.715) 4.619 34.042 ( -3.100 -0.000 -0.852) 3.215 ======================= Grid point 249 (104/168) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( 2.562 -2.815 11.206) 11.835 1.143 ( -2.557 -6.464 13.067) 14.801 1.216 ( -6.175 -4.440 -10.297) 12.801 1.491 ( 0.153 -14.801 -10.190) 17.970 1.844 ( 3.712 -11.512 15.644) 19.775 2.068 ( 9.238 -5.007 0.922) 10.548 2.316 ( -6.825 3.164 -5.669) 9.420 2.481 ( 1.261 -7.808 5.568) 9.673 2.585 ( 3.470 -8.464 -1.479) 9.267 2.624 ( 7.187 -2.818 -15.729) 17.521 2.800 ( -0.967 -3.304 -0.247) 3.452 2.907 ( 1.821 -1.048 -0.241) 2.114 3.144 ( -8.206 3.286 8.623) 12.349 3.317 ( -4.276 3.459 4.238) 6.943 3.426 ( -0.352 -0.088 -0.482) 0.603 3.441 ( 2.787 -1.073 -1.735) 3.454 3.550 ( 0.156 2.922 -4.222) 5.137 3.725 ( 0.669 6.875 -2.803) 7.455 3.982 ( -0.342 -0.672 0.805) 1.103 4.230 ( -0.288 -2.229 0.488) 2.300 4.393 ( 0.333 -2.011 0.412) 2.079 4.434 ( 1.301 -4.857 -0.116) 5.029 5.092 ( -0.830 1.300 0.105) 1.546 5.336 ( 2.253 1.233 1.896) 3.192 5.864 ( 0.059 0.168 0.589) 0.616 5.907 ( -1.645 6.894 -0.606) 7.114 6.147 ( -6.954 -1.806 6.579) 9.742 6.333 ( 1.186 -1.259 -8.479) 8.654 10.070 ( 0.294 0.132 0.393) 0.508 10.823 ( 0.562 0.102 -0.275) 0.633 10.967 ( 0.290 -1.298 -0.288) 1.361 11.636 ( -0.153 -1.426 -0.118) 1.439 14.567 ( 0.451 0.680 -0.119) 0.824 14.654 ( 1.307 0.478 0.194) 1.405 33.758 ( -1.460 5.782 -2.188) 6.352 33.935 ( 6.199 11.561 2.839) 13.422 ======================= Grid point 250 (105/168) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -4.179 -5.115 -5.675) 8.708 1.329 ( -5.141 -10.478 13.272) 17.674 1.430 ( 5.026 -11.926 2.493) 13.180 1.722 ( 6.619 -9.722 -8.697) 14.628 2.093 ( 1.197 -4.608 2.362) 5.315 2.151 ( -6.222 -1.686 -5.815) 8.681 2.390 ( 6.140 -16.836 2.853) 18.147 2.597 ( 0.868 -0.775 1.572) 1.956 2.699 ( 7.252 -6.954 -6.526) 11.980 2.765 ( 2.973 -6.297 4.170) 8.117 2.946 ( 0.885 -9.765 1.793) 9.968 2.993 ( -1.971 -2.406 -2.194) 3.807 3.090 ( -0.683 -6.210 4.397) 7.640 3.255 ( -4.606 2.673 9.619) 10.995 3.369 ( -3.919 4.915 -1.739) 6.522 3.410 ( 1.184 2.782 -4.585) 5.492 3.547 ( 1.950 -2.927 -2.717) 4.444 3.604 ( 1.660 4.878 -3.527) 6.245 3.989 ( 0.047 -0.088 2.017) 2.019 4.262 ( -2.340 -2.206 -3.066) 4.443 4.397 ( 4.209 1.693 3.207) 5.556 4.570 ( -1.314 -7.647 -0.295) 7.765 5.050 ( -0.805 2.441 -0.339) 2.593 5.329 ( 2.700 3.057 2.377) 4.721 5.733 ( -4.236 7.141 -4.132) 9.274 5.831 ( -0.000 3.989 2.102) 4.509 6.148 ( -3.484 1.617 3.790) 5.397 6.313 ( -5.039 -1.562 -4.241) 6.769 10.077 ( 0.973 -0.198 0.287) 1.033 10.828 ( 0.686 -0.271 -0.150) 0.753 10.992 ( 0.272 -1.274 -0.392) 1.361 11.661 ( -0.433 -1.487 0.037) 1.549 14.558 ( 0.779 0.655 -0.344) 1.075 14.652 ( 1.094 0.767 0.243) 1.358 33.587 ( -2.263 9.041 -3.060) 9.809 33.788 ( 10.949 12.105 3.043) 16.603 ======================= Grid point 251 (106/168) ======================= q-point: ( 0.27 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 1.640 -13.159 2.288) 13.457 1.550 ( -4.397 -11.325 10.238) 15.887 1.648 ( 3.289 -6.745 0.511) 7.522 1.876 ( 10.340 -5.918 -9.517) 15.248 1.987 ( -4.988 1.462 -5.189) 7.345 2.318 ( 3.759 -6.387 3.995) 8.419 2.581 ( -0.484 2.166 3.722) 4.334 2.622 ( -1.383 -4.261 -2.067) 4.934 2.860 ( -5.104 1.242 5.406) 7.537 2.903 ( 4.567 -6.848 -5.973) 10.170 2.992 ( 5.106 -11.150 1.904) 12.410 3.134 ( -4.466 5.152 5.437) 8.720 3.172 ( -1.493 -5.041 -7.034) 8.782 3.241 ( -3.182 0.683 -5.893) 6.732 3.295 ( 0.404 2.817 0.961) 3.004 3.437 ( 5.035 -14.848 8.638) 17.900 3.545 ( -0.218 1.863 -0.880) 2.072 3.650 ( 3.109 -6.344 -5.432) 8.912 4.014 ( 0.359 -1.365 2.086) 2.519 4.294 ( 0.431 -6.698 -3.311) 7.484 4.432 ( 3.426 -0.697 3.320) 4.821 4.669 ( -2.631 -4.110 1.441) 5.088 4.994 ( 0.272 2.886 -0.991) 3.063 5.267 ( -0.955 5.260 0.377) 5.359 5.586 ( -0.303 4.832 -3.053) 5.724 5.762 ( -0.562 3.549 1.693) 3.972 6.062 ( -3.198 5.246 -0.840) 6.201 6.256 ( -7.315 3.293 1.514) 8.164 10.092 ( 1.135 -0.512 0.129) 1.252 10.841 ( 0.716 -0.507 -0.013) 0.877 11.012 ( 0.192 -0.893 -0.365) 0.984 11.681 ( -0.562 -1.012 0.174) 1.171 14.552 ( 0.630 0.360 -0.283) 0.779 14.645 ( 0.361 0.639 -0.041) 0.736 33.403 ( 0.176 8.457 -2.080) 8.711 33.679 ( 10.045 9.325 1.555) 13.794 ======================= Grid point 252 (107/168) ======================= q-point: ( 0.36 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 3.592 -13.558 7.948) 16.121 1.708 ( 6.264 0.925 3.272) 7.128 1.765 ( -6.810 -10.487 5.065) 13.491 1.985 ( 0.468 -5.435 -7.544) 9.309 2.023 ( 9.874 -4.732 -5.364) 12.193 2.404 ( -5.133 -0.113 4.137) 6.594 2.537 ( 2.707 4.253 2.931) 5.832 2.651 ( 0.388 -2.143 -0.754) 2.305 2.780 ( -2.069 1.739 -0.128) 2.706 2.939 ( -5.832 7.558 -9.912) 13.762 3.021 ( -2.647 4.881 3.458) 6.541 3.073 ( 3.335 -1.483 4.649) 5.911 3.130 ( -3.352 2.364 2.249) 4.678 3.216 ( -1.414 -0.592 -6.096) 6.285 3.438 ( -1.326 -6.032 2.580) 6.693 3.525 ( 2.894 -8.578 -5.278) 10.480 3.680 ( 1.761 0.572 -8.066) 8.276 3.849 ( 4.824 -16.311 6.001) 18.037 4.056 ( 0.669 -1.459 3.107) 3.497 4.494 ( 1.640 -7.438 0.276) 7.622 4.546 ( 4.606 -13.264 0.430) 14.047 4.689 ( -3.485 0.205 1.465) 3.786 4.952 ( 2.121 1.683 -1.598) 3.145 5.137 ( -2.916 6.570 -0.898) 7.244 5.525 ( 3.203 2.088 -0.370) 3.842 5.723 ( -0.336 0.996 1.191) 1.588 5.919 ( -3.668 6.496 -2.195) 7.776 6.088 ( -7.833 9.656 2.774) 12.740 10.110 ( 0.874 -0.528 0.062) 1.023 10.855 ( 0.577 -0.445 0.048) 0.730 11.025 ( 0.147 -0.556 -0.343) 0.670 11.692 ( -0.458 -0.549 0.168) 0.734 14.550 ( 0.319 0.165 -0.124) 0.380 14.636 ( -0.034 0.345 -0.298) 0.457 33.272 ( 1.032 5.647 -0.577) 5.770 33.604 ( 6.917 6.008 0.352) 9.168 ======================= Grid point 253 (108/168) ======================= q-point: ( 0.45 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.539 0.968 3.880) 9.429 1.782 ( -2.369 -8.453 6.392) 10.859 1.913 ( -2.874 -6.792 4.284) 8.529 2.060 ( 7.263 -0.280 -3.264) 7.968 2.149 ( 2.900 -6.801 -3.660) 8.250 2.283 ( -7.231 8.058 2.168) 11.042 2.514 ( 2.343 2.265 1.791) 3.719 2.664 ( -4.295 0.398 -4.415) 6.172 2.736 ( -4.513 3.631 -5.901) 8.269 2.755 ( -0.090 -0.010 -2.470) 2.472 2.965 ( 2.258 1.987 7.434) 8.020 3.068 ( 3.191 3.055 4.118) 6.039 3.112 ( -4.938 -0.401 -0.524) 4.982 3.204 ( -1.417 -1.855 -5.585) 6.053 3.405 ( -3.843 0.164 0.487) 3.877 3.608 ( 4.226 2.277 -7.567) 8.961 3.849 ( 0.472 -15.486 -0.782) 15.513 4.015 ( 3.963 4.905 2.766) 6.886 4.134 ( 0.533 -5.211 2.059) 5.629 4.621 ( -1.022 -1.336 1.460) 2.227 4.633 ( -1.848 -0.034 -0.420) 1.895 4.817 ( 3.133 -10.844 -1.311) 11.363 4.956 ( 2.210 3.510 -0.052) 4.148 5.005 ( -1.997 2.060 -0.376) 2.894 5.581 ( 6.362 -5.222 0.375) 8.239 5.720 ( -0.623 0.221 0.567) 0.871 5.764 ( -5.376 5.738 -1.084) 7.937 5.855 ( -4.071 9.158 1.795) 10.182 10.122 ( 0.328 -0.233 0.026) 0.404 10.864 ( 0.295 -0.165 0.040) 0.340 11.032 ( 0.133 -0.253 -0.369) 0.466 11.697 ( -0.178 -0.195 0.102) 0.283 14.549 ( 0.062 0.088 0.010) 0.108 14.630 ( -0.075 0.129 -0.327) 0.359 33.206 ( 0.312 2.017 0.354) 2.071 33.564 ( 2.507 2.117 -0.209) 3.288 ======================= Grid point 254 (109/168) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 1.602 1.074 1.728) 2.590 1.846 ( 1.304 3.034 -1.567) 3.655 1.956 ( -1.441 4.328 4.085) 6.123 2.060 ( -1.589 8.709 -4.275) 9.831 2.095 ( -3.469 1.221 2.725) 4.577 2.258 ( 2.720 -4.357 1.790) 5.439 2.506 ( 1.038 1.083 6.182) 6.361 2.601 ( -4.849 -3.921 -6.940) 9.330 2.726 ( 2.541 -2.712 -0.484) 3.748 2.743 ( -1.423 0.472 -0.965) 1.783 2.990 ( 1.911 1.501 8.040) 8.399 3.062 ( -6.604 -0.810 -0.920) 6.717 3.104 ( 5.249 -1.566 0.096) 5.478 3.237 ( -1.223 -5.745 -5.281) 7.898 3.414 ( 0.341 -1.799 -0.980) 2.076 3.578 ( 3.265 0.743 -5.054) 6.062 3.842 ( 1.189 16.473 0.464) 16.522 4.050 ( -3.025 -6.786 -0.972) 7.493 4.156 ( -1.631 2.590 0.013) 3.061 4.594 ( 1.498 5.734 2.970) 6.629 4.627 ( 1.618 -0.620 0.753) 1.889 4.789 ( -2.928 10.504 1.180) 10.968 4.980 ( -1.737 1.975 -0.544) 2.686 5.004 ( 0.484 -6.905 -1.636) 7.113 5.584 ( -5.736 4.088 0.071) 7.044 5.733 ( 0.623 -0.115 0.415) 0.757 5.743 ( 3.626 -3.587 -0.024) 5.101 5.875 ( 6.215 -10.991 -0.101) 12.627 10.123 ( -0.326 0.193 -0.012) 0.379 10.865 ( -0.057 0.192 -0.019) 0.201 11.033 ( 0.142 0.082 -0.449) 0.478 11.698 ( 0.183 0.104 0.007) 0.211 14.548 ( -0.120 0.020 0.101) 0.158 14.627 ( 0.056 -0.022 -0.134) 0.147 33.202 ( -1.123 -1.527 0.718) 2.026 33.564 ( -2.369 -2.252 -0.225) 3.276 ======================= Grid point 255 (110/168) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 1.105 19.269 -0.304) 19.303 1.755 ( 0.974 4.799 2.319) 5.418 1.842 ( -9.981 2.470 -3.441) 10.843 1.920 ( -4.056 4.562 0.112) 6.106 1.978 ( -0.085 5.660 -5.256) 7.724 2.412 ( 4.788 -4.419 4.590) 7.970 2.530 ( -4.037 -1.686 8.437) 9.504 2.641 ( 1.252 -1.508 -5.259) 5.613 2.712 ( -0.128 0.975 1.847) 2.092 2.830 ( 1.031 -5.747 2.664) 6.417 3.023 ( 2.093 -2.080 4.092) 5.045 3.071 ( 1.989 0.788 4.341) 4.840 3.164 ( -1.773 -3.372 -2.543) 4.581 3.289 ( 1.345 1.346 -10.448) 10.619 3.399 ( -4.157 9.056 3.503) 10.562 3.532 ( 3.840 4.464 0.383) 5.901 3.598 ( 1.690 -0.135 -3.093) 3.527 3.987 ( -4.595 9.289 -7.355) 12.708 4.083 ( -1.474 3.020 -0.131) 3.363 4.442 ( -1.255 11.016 4.909) 12.125 4.538 ( -3.794 11.317 1.926) 12.091 4.710 ( 3.440 -2.609 -0.136) 4.319 4.937 ( -1.305 -0.593 -0.689) 1.590 5.112 ( 1.298 -4.530 1.455) 4.932 5.538 ( -3.190 -1.841 -1.479) 3.969 5.749 ( 0.522 -1.693 -1.226) 2.154 5.859 ( 2.928 -5.532 3.350) 7.099 6.148 ( 8.976 -10.901 -2.676) 14.372 10.111 ( -0.896 0.493 -0.037) 1.023 10.856 ( -0.368 0.465 -0.110) 0.603 11.027 ( 0.168 0.440 -0.535) 0.713 11.696 ( 0.515 0.429 -0.147) 0.686 14.548 ( -0.294 -0.081 0.115) 0.326 14.631 ( 0.194 -0.253 0.146) 0.351 33.248 ( -2.396 -4.234 1.560) 5.109 33.611 ( -6.813 -6.643 -0.253) 9.519 ======================= Grid point 256 (111/168) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.217 ( 0.195 21.967 1.239) 22.003 1.597 ( -6.385 14.171 9.273) 18.099 1.703 ( -5.472 2.795 -4.237) 7.464 1.803 ( -3.146 2.372 -6.422) 7.534 1.955 ( 4.937 -0.977 -2.155) 5.475 2.378 ( -7.173 6.005 -1.937) 9.553 2.579 ( 3.441 4.925 2.672) 6.575 2.657 ( 1.905 -1.925 -1.951) 3.338 2.717 ( -1.681 4.911 10.248) 11.488 2.866 ( -6.731 14.012 3.742) 15.989 2.966 ( 0.486 -0.565 3.349) 3.431 3.043 ( 1.573 2.532 2.912) 4.168 3.101 ( 3.695 -0.136 3.651) 5.197 3.277 ( 1.505 -5.442 -3.623) 6.709 3.390 ( 0.895 -4.132 -5.446) 6.894 3.542 ( 0.893 6.099 -0.301) 6.171 3.574 ( -2.116 2.777 -2.877) 4.524 3.723 ( -0.406 5.213 -13.902) 14.852 4.023 ( -1.721 1.919 0.518) 2.629 4.198 ( -3.214 10.403 6.206) 12.532 4.447 ( -2.041 1.347 1.939) 3.121 4.728 ( 3.130 2.605 -3.639) 5.461 4.971 ( 0.666 -2.819 0.865) 3.023 5.226 ( 0.919 -5.804 4.263) 7.260 5.561 ( -1.187 -2.771 -0.749) 3.106 5.798 ( 0.784 -3.795 -1.777) 4.263 5.992 ( 2.298 -4.547 4.813) 7.008 6.344 ( 8.938 -4.839 -5.772) 11.689 10.094 ( -1.231 0.441 -0.030) 1.308 10.843 ( -0.553 0.549 -0.199) 0.804 11.014 ( 0.206 0.816 -0.604) 1.036 11.688 ( 0.698 0.871 -0.410) 1.190 14.548 ( -0.474 -0.269 0.079) 0.551 14.641 ( 0.079 -0.576 0.318) 0.663 33.336 ( -2.169 -6.027 4.053) 7.580 33.704 ( -10.307 -10.399 -0.687) 14.658 ======================= Grid point 257 (112/168) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 4.507 17.512 9.238) 20.305 1.303 ( -7.090 16.378 11.766) 21.376 1.587 ( -5.455 2.937 -8.777) 10.743 1.726 ( 0.861 2.684 -7.304) 7.829 1.985 ( 3.860 10.000 11.366) 15.623 2.154 ( -5.687 10.093 -2.546) 11.862 2.268 ( -5.569 14.395 5.772) 16.479 2.592 ( -2.600 4.177 3.308) 5.929 2.669 ( 2.525 2.132 -5.074) 6.056 2.869 ( 0.433 4.369 -0.432) 4.411 2.891 ( 1.195 2.728 7.044) 7.648 3.030 ( -2.518 2.735 -2.535) 4.500 3.170 ( -1.552 -3.319 9.119) 9.828 3.252 ( -3.393 5.649 -12.860) 14.450 3.388 ( 0.731 -2.633 2.181) 3.496 3.434 ( 5.692 3.731 -5.205) 8.568 3.554 ( -3.408 -4.803 -3.872) 7.048 3.686 ( 3.136 -2.518 -10.813) 11.537 3.998 ( -2.232 -0.147 1.222) 2.549 4.133 ( 0.974 1.394 9.358) 9.512 4.421 ( -2.834 0.343 0.917) 2.999 4.632 ( 2.089 7.563 -5.865) 9.796 5.037 ( 1.565 -2.682 0.843) 3.218 5.346 ( -4.302 -5.834 1.453) 7.393 5.639 ( 4.365 -4.746 4.243) 7.719 5.873 ( 0.290 -4.246 -1.897) 4.659 6.094 ( 1.108 -2.609 6.177) 6.796 6.393 ( 8.771 3.117 -9.084) 13.006 10.080 ( -1.287 -0.024 -0.044) 1.288 10.828 ( -0.540 0.419 -0.184) 0.708 10.994 ( 0.196 1.240 -0.662) 1.419 11.669 ( 0.578 1.477 -0.697) 1.732 14.553 ( -0.511 -0.644 0.102) 0.828 14.653 ( -0.624 -0.751 0.201) 0.997 33.480 ( 1.746 -7.434 7.369) 10.612 33.831 ( -12.771 -12.939 -0.988) 18.207 ======================= Grid point 258 (113/168) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 12.083 4.713 20.438) 24.206 1.025 ( -2.999 15.233 17.191) 23.164 1.433 ( -4.007 4.548 -15.429) 16.577 1.605 ( -0.816 6.174 -12.599) 14.054 1.696 ( -10.908 15.504 27.918) 33.746 1.993 ( 1.027 4.386 -0.410) 4.523 2.282 ( 6.767 -4.259 2.402) 8.349 2.489 ( -4.479 6.503 4.488) 9.082 2.556 ( 3.277 8.238 -2.949) 9.344 2.746 ( -1.622 5.038 -13.451) 14.455 2.833 ( -0.557 2.226 -2.889) 3.690 2.936 ( -4.259 0.453 -6.637) 7.899 3.170 ( -5.319 -2.943 7.874) 9.947 3.316 ( 0.252 -5.846 2.206) 6.253 3.390 ( 4.866 3.200 -0.841) 5.884 3.434 ( 0.181 -0.251 0.060) 0.316 3.592 ( 0.803 -2.822 -7.480) 8.035 3.757 ( -0.100 -7.052 -4.878) 8.575 3.988 ( -1.231 0.820 0.464) 1.550 4.170 ( 2.695 0.616 6.498) 7.062 4.406 ( -2.656 -0.219 1.285) 2.958 4.447 ( 0.423 9.933 -3.860) 10.665 5.089 ( 1.106 -1.437 0.367) 1.850 5.372 ( -7.324 -2.470 -2.019) 7.989 5.813 ( 3.888 -5.270 4.987) 8.232 5.928 ( 0.118 -3.247 -1.649) 3.644 6.154 ( -1.795 -0.964 6.895) 7.190 6.314 ( 10.883 7.073 -7.696) 15.089 10.076 ( -1.145 -0.404 -0.203) 1.231 10.820 ( -0.124 0.072 -0.011) 0.144 10.967 ( 0.007 1.363 -0.422) 1.427 11.638 ( 0.154 1.614 -0.441) 1.680 14.565 ( -0.240 -0.843 0.067) 0.879 14.657 ( -1.455 -0.449 -0.084) 1.525 33.683 ( 7.837 -6.292 5.809) 11.608 33.974 ( -11.829 -12.220 -0.949) 17.034 ======================= Grid point 260 (114/168) ======================= q-point: ( 0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -14.010 -0.000 -18.424) 23.146 1.081 ( 4.592 0.000 18.552) 19.111 1.185 ( 5.861 0.000 -19.424) 20.289 1.253 ( -7.505 -0.000 18.625) 20.080 1.869 ( 8.416 0.000 11.882) 14.560 2.108 ( 17.860 0.000 -10.061) 20.498 2.298 ( -7.133 -0.000 -0.639) 7.162 2.368 ( -1.041 -0.000 4.662) 4.777 2.500 ( 2.139 0.000 -3.268) 3.905 2.639 ( 8.956 0.000 -8.495) 12.344 2.768 ( -1.540 -0.000 1.343) 2.044 2.933 ( 5.179 0.000 0.719) 5.229 3.149 ( -9.477 -0.000 9.563) 13.463 3.300 ( -7.659 -0.000 0.393) 7.669 3.440 ( 1.837 0.000 0.703) 1.967 3.445 ( 1.955 0.000 0.136) 1.960 3.563 ( -1.433 -0.000 -5.128) 5.324 3.813 ( 0.225 0.000 2.937) 2.946 3.955 ( -0.859 -0.000 -0.909) 1.251 4.198 ( -1.192 -0.000 -2.094) 2.409 4.316 ( -0.068 -0.000 0.434) 0.440 4.464 ( 4.470 0.000 0.512) 4.499 5.096 ( -1.405 -0.000 0.012) 1.405 5.397 ( 6.891 0.000 3.910) 7.923 5.859 ( 0.809 0.000 0.017) 0.809 5.987 ( 0.587 0.000 0.002) 0.587 6.040 ( -15.679 -0.000 3.404) 16.044 6.293 ( -1.992 -0.000 -7.672) 7.927 10.079 ( 0.884 0.000 0.765) 1.169 10.828 ( 0.817 0.000 -0.562) 0.992 10.956 ( 0.582 0.000 -0.034) 0.583 11.620 ( -0.069 -0.000 0.011) 0.070 14.578 ( 0.944 0.000 -0.112) 0.950 14.675 ( 2.303 0.000 0.205) 2.313 33.790 ( -2.072 -0.000 -3.938) 4.450 34.113 ( 8.892 0.000 2.340) 9.195 ======================= Grid point 261 (115/168) ======================= q-point: ( 0.18 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( -7.517 -3.887 -19.604) 21.353 1.184 ( -0.957 -5.069 1.569) 5.392 1.322 ( 5.297 -9.894 15.657) 19.264 1.463 ( 1.680 -15.962 0.545) 16.060 1.997 ( 7.451 -5.000 1.071) 9.037 2.163 ( -2.166 4.356 -8.755) 10.016 2.263 ( 14.777 -4.556 -1.325) 15.520 2.469 ( -4.597 -8.146 0.272) 9.358 2.614 ( 4.270 -6.549 -5.519) 9.570 2.682 ( 0.046 -3.454 5.059) 6.126 2.824 ( 4.497 -7.095 0.026) 8.400 2.982 ( 7.989 0.176 2.925) 8.510 3.090 ( -7.746 2.924 8.025) 11.531 3.263 ( -7.568 -1.236 3.714) 8.521 3.407 ( -3.562 4.330 1.464) 5.795 3.450 ( 3.147 2.029 -5.467) 6.626 3.512 ( -1.424 -0.547 -2.449) 2.885 3.736 ( 1.112 7.413 2.174) 7.804 3.990 ( -0.073 -1.790 1.660) 2.442 4.195 ( -1.218 -1.702 -2.747) 3.453 4.397 ( -0.858 -6.837 1.439) 7.040 4.484 ( 4.396 0.698 -1.328) 4.645 5.073 ( -1.496 1.148 -0.503) 1.952 5.441 ( 6.967 3.509 4.859) 9.190 5.782 ( -8.546 6.217 -4.658) 11.549 5.900 ( -0.791 2.061 2.120) 3.061 6.095 ( -5.456 -6.353 4.630) 9.569 6.226 ( -5.655 0.279 -7.333) 9.264 10.088 ( 1.373 0.184 0.692) 1.548 10.832 ( 0.998 0.035 -0.373) 1.065 10.971 ( 0.622 -1.024 -0.158) 1.208 11.632 ( -0.286 -1.229 0.100) 1.266 14.578 ( 1.296 0.794 -0.274) 1.545 14.680 ( 1.331 0.970 -0.093) 1.649 33.700 ( -0.461 5.818 -5.442) 7.980 34.100 ( 11.099 9.875 4.106) 15.413 ======================= Grid point 262 (116/168) ======================= q-point: ( 0.27 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 2.568 -13.986 -8.493) 16.563 1.332 ( -5.247 -10.808 6.580) 13.698 1.578 ( 6.912 -6.587 8.416) 12.727 1.757 ( 6.723 -11.635 -4.363) 14.129 2.026 ( 0.159 4.966 -3.602) 6.137 2.212 ( 7.143 -10.879 2.615) 13.274 2.476 ( 4.167 -8.661 -6.260) 11.470 2.555 ( -4.212 -3.850 5.950) 8.245 2.708 ( 5.317 -7.484 -8.898) 12.785 2.817 ( -3.500 -10.511 1.722) 11.211 2.917 ( -4.328 2.046 -2.935) 5.615 3.084 ( 7.953 -3.434 1.753) 8.839 3.152 ( 3.302 -5.944 8.973) 11.258 3.244 ( -6.883 5.917 -0.921) 9.123 3.271 ( -5.170 -2.337 1.863) 5.971 3.407 ( 3.078 1.230 -0.444) 3.345 3.549 ( 0.690 -4.001 0.164) 4.064 3.631 ( 2.888 5.958 1.725) 6.842 4.011 ( 0.423 -0.104 1.975) 2.022 4.207 ( -0.029 -1.922 -4.288) 4.699 4.464 ( 2.017 0.175 0.398) 2.063 4.555 ( -1.816 -6.516 1.624) 6.956 5.032 ( -0.816 1.857 -1.262) 2.389 5.383 ( 0.316 7.555 1.433) 7.696 5.625 ( -3.094 2.588 -3.611) 5.414 5.843 ( -0.919 4.399 1.779) 4.833 6.100 ( -4.579 2.758 -2.278) 5.811 6.205 ( -7.445 -3.521 2.515) 8.611 10.099 ( 1.586 0.021 0.353) 1.624 10.840 ( 1.043 -0.228 -0.108) 1.073 10.994 ( 0.432 -1.056 -0.211) 1.160 11.655 ( -0.602 -1.385 0.244) 1.530 14.569 ( 1.078 0.924 -0.372) 1.468 14.663 ( 0.221 1.144 -0.444) 1.247 33.552 ( 1.959 8.124 -4.284) 9.391 33.983 ( 11.804 12.939 3.123) 17.791 ======================= Grid point 263 (117/168) ======================= q-point: ( 0.36 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.262 ( 4.175 -17.499 -1.770) 18.077 1.526 ( -7.373 -11.635 5.976) 15.015 1.729 ( 4.560 -3.158 4.024) 6.853 1.923 ( 4.095 -0.640 2.855) 5.033 2.013 ( 12.825 -3.970 -8.614) 15.951 2.400 ( 0.686 -1.439 4.702) 4.965 2.534 ( -6.553 -2.676 2.494) 7.505 2.629 ( 2.549 -4.313 -1.493) 5.227 2.811 ( -2.723 3.166 -2.240) 4.739 2.935 ( 1.064 -10.341 1.357) 10.484 2.976 ( -5.000 -1.537 -5.020) 7.250 3.053 ( -3.670 -2.409 -6.581) 7.911 3.147 ( -0.245 1.444 -5.453) 5.647 3.189 ( 2.456 1.964 6.480) 7.203 3.310 ( -0.119 -3.132 0.588) 3.189 3.532 ( -1.691 3.473 3.447) 5.178 3.589 ( 3.136 -9.040 -0.367) 9.576 3.700 ( 9.517 -6.954 4.097) 12.479 4.034 ( 0.235 -1.627 1.414) 2.169 4.292 ( 2.491 -10.146 -2.657) 10.780 4.480 ( 0.945 -1.178 0.044) 1.511 4.639 ( -3.637 -3.503 2.092) 5.466 4.989 ( 0.603 1.811 -1.839) 2.651 5.230 ( -2.722 6.762 -1.511) 7.445 5.582 ( 1.699 1.866 -0.311) 2.543 5.765 ( -1.026 3.410 1.620) 3.912 5.982 ( -5.024 4.803 -3.129) 7.623 6.166 ( -7.824 3.611 3.612) 9.344 10.113 ( 1.425 -0.161 0.157) 1.442 10.852 ( 0.874 -0.347 -0.038) 0.941 11.013 ( 0.283 -0.764 -0.178) 0.834 11.674 ( -0.662 -1.062 0.234) 1.274 14.559 ( 0.605 0.600 -0.278) 0.896 14.644 ( -0.134 0.732 -0.496) 0.894 33.407 ( 2.766 7.944 -1.906) 8.625 33.841 ( 9.928 12.036 1.373) 15.662 ======================= Grid point 264 (118/168) ======================= q-point: ( 0.45 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -3.678 -14.321 0.103) 14.786 1.677 ( -4.614 -8.844 1.950) 10.164 1.841 ( 4.474 -4.412 4.570) 7.770 1.983 ( 5.965 -1.707 2.678) 6.758 2.156 ( 11.411 -2.824 -5.125) 12.824 2.349 ( -4.830 4.196 1.665) 6.612 2.543 ( -4.366 -1.368 3.831) 5.967 2.662 ( -1.682 2.065 -10.290) 10.629 2.744 ( -0.720 0.957 -3.926) 4.105 2.819 ( 1.068 7.176 4.680) 8.634 3.010 ( -2.133 -1.792 0.026) 2.786 3.088 ( -2.326 2.338 1.549) 3.644 3.137 ( -2.084 -1.748 0.794) 2.834 3.184 ( 3.259 2.365 2.215) 4.595 3.424 ( -3.500 4.668 3.127) 6.619 3.536 ( 4.048 -16.642 -4.278) 17.654 3.641 ( 2.058 0.363 -7.414) 7.703 3.997 ( 6.757 -10.363 6.587) 14.016 4.092 ( 1.299 -2.642 2.393) 3.794 4.490 ( -0.787 -7.547 -3.108) 8.200 4.610 ( 3.605 -12.843 -0.901) 13.370 4.641 ( -4.202 0.321 0.891) 4.307 4.969 ( 2.064 0.114 -1.266) 2.424 5.098 ( -1.544 5.809 0.038) 6.010 5.574 ( 3.092 0.102 0.579) 3.147 5.728 ( -0.443 0.919 1.284) 1.640 5.828 ( -5.716 6.187 -2.400) 8.759 6.001 ( -6.802 9.067 2.088) 11.525 10.125 ( 0.953 -0.056 0.077) 0.958 10.863 ( 0.552 -0.230 -0.081) 0.604 11.025 ( 0.219 -0.463 -0.148) 0.533 11.687 ( -0.467 -0.719 0.155) 0.871 14.553 ( 0.211 0.311 -0.130) 0.398 14.632 ( -0.039 0.309 -0.344) 0.464 33.290 ( 1.870 6.071 -0.221) 6.356 33.706 ( 6.246 9.428 0.221) 11.311 ======================= Grid point 265 (119/168) ======================= q-point: ( 0.55 0.09 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -11.304 -4.382 -2.125) 12.308 1.845 ( -2.343 -7.127 -0.558) 7.522 1.981 ( 3.941 -3.390 4.705) 7.012 2.056 ( 2.461 -1.168 -1.966) 3.360 2.191 ( -0.795 3.560 -1.387) 3.902 2.275 ( 6.311 1.869 0.916) 6.645 2.508 ( -4.879 0.645 -2.063) 5.336 2.610 ( 3.030 0.782 0.902) 3.257 2.674 ( -2.950 2.006 0.936) 3.688 2.780 ( 4.665 1.841 1.450) 5.220 3.017 ( -5.077 2.070 0.106) 5.484 3.046 ( 0.792 -0.758 0.088) 1.100 3.146 ( -1.780 0.654 3.346) 3.846 3.168 ( 6.240 1.479 -0.093) 6.414 3.373 ( -2.603 -1.277 3.059) 4.215 3.602 ( 3.493 1.596 -7.171) 8.134 3.838 ( -0.482 -13.693 -1.554) 13.789 4.094 ( 4.154 7.806 1.289) 8.936 4.153 ( -0.578 -2.571 1.796) 3.189 4.582 ( -2.889 -0.840 -0.052) 3.009 4.626 ( 0.525 -6.108 -1.685) 6.358 4.838 ( 1.180 -8.945 -1.869) 9.214 4.968 ( -1.332 7.841 0.812) 7.995 5.001 ( 1.511 0.283 1.485) 2.137 5.644 ( -5.266 4.754 0.117) 7.095 5.679 ( 3.361 -5.375 -0.305) 6.346 5.731 ( 0.184 -0.630 0.195) 0.684 5.817 ( -2.311 4.882 0.020) 5.401 10.128 ( 0.334 0.303 0.023) 0.452 10.867 ( 0.174 0.062 -0.151) 0.239 11.032 ( 0.214 -0.156 -0.196) 0.330 11.696 ( -0.153 -0.423 0.062) 0.454 14.550 ( -0.016 0.157 0.006) 0.158 14.628 ( 0.145 0.064 -0.109) 0.192 33.215 ( 0.319 2.940 0.441) 2.990 33.595 ( 1.864 5.718 -0.133) 6.015 ======================= Grid point 266 (120/168) ======================= q-point: (-0.36 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -9.139 -3.754 -3.539) 10.494 1.840 ( -4.736 3.880 -2.060) 6.460 1.923 ( -6.041 7.038 -5.930) 11.009 2.025 ( -0.374 10.487 -0.069) 10.494 2.098 ( 6.147 1.296 0.663) 6.317 2.392 ( 7.491 -5.633 5.282) 10.758 2.479 ( -4.530 0.121 -0.826) 4.606 2.617 ( 1.757 0.385 8.885) 9.065 2.729 ( 1.062 -1.885 1.024) 2.394 2.789 ( 4.788 -1.055 0.796) 4.967 2.963 ( -3.994 -2.069 -1.217) 4.660 3.063 ( -1.247 -2.077 2.818) 3.716 3.169 ( -0.373 -2.289 -2.008) 3.067 3.188 ( 3.375 0.343 -0.459) 3.423 3.444 ( 1.884 -3.583 4.836) 6.307 3.579 ( 4.002 0.384 -6.579) 7.710 3.853 ( 0.388 18.802 -1.122) 18.839 3.991 ( -2.859 -4.633 -2.450) 5.970 4.127 ( -1.871 3.794 -0.064) 4.231 4.636 ( 1.399 5.442 0.956) 5.700 4.653 ( 0.851 -4.070 1.265) 4.346 4.757 ( -2.849 13.416 1.515) 13.798 4.913 ( -3.591 -0.328 -1.780) 4.022 5.034 ( 2.041 -4.879 0.606) 5.324 5.503 ( -4.718 2.372 -0.571) 5.312 5.731 ( 0.118 -0.052 -0.747) 0.758 5.796 ( 1.785 -4.079 2.118) 4.930 5.957 ( 5.759 -13.964 -2.169) 15.260 10.119 ( -0.229 0.702 -0.024) 0.738 10.862 ( -0.133 0.396 -0.210) 0.468 11.032 ( 0.234 0.178 -0.310) 0.428 11.701 ( 0.139 -0.115 -0.059) 0.190 14.547 ( -0.132 0.092 0.097) 0.188 14.630 ( 0.235 -0.083 0.086) 0.263 33.195 ( -0.871 -0.765 0.912) 1.475 33.528 ( -2.143 1.284 -0.123) 2.501 ======================= Grid point 267 (121/168) ======================= q-point: (-0.27 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -3.144 14.237 -7.620) 16.451 1.671 ( -3.995 -1.328 -2.955) 5.143 1.766 ( -8.943 5.154 5.702) 11.792 1.828 ( -2.449 9.178 0.595) 9.518 2.093 ( 13.231 6.222 -1.929) 14.748 2.402 ( -6.432 3.569 -0.265) 7.361 2.569 ( 1.643 -5.823 -1.563) 6.249 2.632 ( 0.393 -0.165 4.489) 4.509 2.747 ( 0.285 -0.663 5.115) 5.166 2.900 ( 1.593 -4.386 5.959) 7.568 3.055 ( -0.454 -5.506 1.054) 5.624 3.125 ( 2.199 3.139 -4.266) 5.735 3.136 ( -0.962 -3.625 4.618) 5.949 3.243 ( 1.831 -2.893 -3.554) 4.935 3.365 ( -3.548 17.697 1.875) 18.147 3.595 ( 1.937 1.342 -4.307) 4.909 3.619 ( 5.482 -0.262 2.624) 6.084 3.873 ( -1.830 13.436 -7.628) 15.559 4.054 ( -1.909 2.113 -0.673) 2.926 4.433 ( -3.616 14.440 3.071) 15.199 4.501 ( -2.418 7.783 0.014) 8.150 4.742 ( 1.102 -1.773 -0.461) 2.138 4.922 ( -0.052 -2.794 -0.387) 2.822 5.153 ( 1.553 -5.321 2.440) 6.057 5.489 ( -1.729 -3.104 -0.800) 3.642 5.741 ( 0.098 -1.704 -1.538) 2.298 5.924 ( 1.549 -6.232 3.866) 7.496 6.226 ( 5.327 -11.175 -4.071) 13.032 10.100 ( -0.549 0.893 -0.041) 1.049 10.850 ( -0.277 0.628 -0.246) 0.729 11.026 ( 0.261 0.515 -0.423) 0.716 11.700 ( 0.289 0.286 -0.237) 0.470 14.545 ( -0.159 0.051 0.098) 0.194 14.634 ( 0.094 -0.234 0.107) 0.274 33.242 ( -0.740 -4.492 2.410) 5.151 33.518 ( -4.950 -3.209 -0.415) 5.914 ======================= Grid point 268 (122/168) ======================= q-point: (-0.18 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -0.343 15.025 -1.392) 15.094 1.536 ( -9.720 11.221 9.397) 17.570 1.649 ( -1.289 8.717 -0.534) 8.828 1.737 ( 3.221 -0.403 -5.588) 6.463 2.110 ( 13.493 0.698 0.325) 13.515 2.256 ( -7.034 6.094 -0.805) 9.342 2.589 ( -5.010 -1.326 -2.731) 5.858 2.645 ( 1.981 7.100 -2.148) 7.678 2.763 ( -2.249 17.979 8.760) 20.126 2.865 ( -1.362 -2.737 8.237) 8.786 2.963 ( -1.234 5.794 -1.043) 6.015 3.098 ( -0.008 -0.761 6.444) 6.489 3.176 ( 1.789 0.394 4.675) 5.022 3.290 ( 3.151 -0.628 -5.007) 5.949 3.326 ( -1.817 -8.402 -4.535) 9.719 3.461 ( -3.829 14.740 -3.640) 15.659 3.603 ( 2.804 4.168 -4.502) 6.745 3.641 ( 3.245 2.418 -8.487) 9.402 4.001 ( -1.981 1.712 1.321) 2.933 4.239 ( 1.148 5.747 6.846) 9.012 4.407 ( -3.472 1.400 -1.283) 3.957 4.722 ( 0.417 3.472 -3.305) 4.812 4.990 ( 0.872 -3.681 0.339) 3.798 5.254 ( -0.933 -3.795 2.460) 4.618 5.575 ( 1.930 -6.070 1.819) 6.624 5.785 ( -0.293 -3.811 -2.012) 4.319 6.056 ( 0.514 -4.898 4.962) 6.991 6.385 ( 3.555 -4.731 -6.472) 8.769 10.081 ( -0.532 0.719 -0.002) 0.895 10.835 ( -0.217 0.647 -0.235) 0.722 11.013 ( 0.275 0.889 -0.521) 1.066 11.691 ( 0.210 0.861 -0.442) 0.990 14.545 ( -0.029 -0.134 0.034) 0.142 14.639 ( -0.292 -0.338 -0.036) 0.448 33.377 ( 1.904 -8.239 5.090) 9.870 33.569 ( -6.393 -7.042 -1.104) 9.575 ======================= Grid point 269 (123/168) ======================= q-point: (-0.09 0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 4.874 6.571 8.038) 11.469 1.299 ( -7.682 11.744 12.802) 18.995 1.442 ( -3.018 9.791 -7.639) 12.780 1.705 ( 4.995 5.444 -7.863) 10.789 2.072 ( -0.925 11.382 -1.260) 11.489 2.226 ( 6.259 18.698 16.723) 25.854 2.263 ( -0.217 0.641 0.899) 1.125 2.530 ( -3.673 2.482 -1.816) 4.790 2.673 ( 2.023 2.500 -1.679) 3.628 2.810 ( -1.493 5.709 -8.817) 10.610 2.943 ( -0.581 7.363 2.287) 7.732 2.994 ( 2.224 10.546 -1.926) 10.949 3.115 ( -5.774 2.032 1.635) 6.335 3.234 ( -1.743 -4.230 6.385) 7.854 3.408 ( -1.169 -3.155 2.305) 4.079 3.433 ( 1.342 -3.577 -6.418) 7.469 3.529 ( 1.744 1.613 -0.580) 2.445 3.638 ( 2.478 -3.375 -9.825) 10.680 3.982 ( -1.290 -0.082 1.519) 1.995 4.245 ( 3.415 1.667 6.941) 7.913 4.370 ( -2.877 -1.092 -1.251) 3.321 4.601 ( -0.218 7.882 -3.913) 8.803 5.057 ( 0.300 -2.750 0.146) 2.770 5.301 ( -1.625 -2.030 1.199) 2.863 5.742 ( 3.003 -7.796 3.758) 9.161 5.846 ( -1.409 -4.044 -2.306) 4.864 6.143 ( -1.691 -2.180 6.173) 6.762 6.396 ( 1.837 1.478 -8.462) 8.784 10.069 ( -0.212 0.233 0.116) 0.336 10.824 ( 0.093 0.356 -0.163) 0.402 10.992 ( 0.242 1.331 -0.558) 1.463 11.667 ( -0.054 1.523 -0.454) 1.590 14.552 ( 0.261 -0.573 -0.042) 0.631 14.643 ( -0.245 -0.353 -0.048) 0.433 33.612 ( 8.103 -9.557 4.473) 13.304 33.674 ( -7.736 -11.380 0.050) 13.760 ======================= Grid point 272 (124/168) ======================= q-point: ( 0.18 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( -0.363 -0.000 -20.735) 20.739 1.130 ( 9.300 0.000 -18.701) 20.886 1.330 ( 8.080 0.000 17.005) 18.827 1.332 ( -4.961 -0.000 19.092) 19.726 2.015 ( 6.486 0.000 0.657) 6.519 2.169 ( 6.117 0.000 -13.669) 14.975 2.341 ( 11.829 0.000 -5.004) 12.844 2.352 ( -5.901 -0.000 1.477) 6.083 2.544 ( 7.733 0.000 -2.218) 8.045 2.665 ( -5.868 -0.000 7.131) 9.235 2.785 ( 2.814 0.000 -1.487) 3.183 3.042 ( 1.009 0.000 0.593) 1.170 3.132 ( 1.829 0.000 13.302) 13.427 3.187 ( -8.744 -0.000 1.754) 8.918 3.447 ( -1.324 -0.000 -1.121) 1.734 3.455 ( -2.773 -0.000 -11.976) 12.293 3.492 ( -0.420 -0.000 9.303) 9.312 3.873 ( 1.417 0.000 7.130) 7.270 3.925 ( -1.824 -0.000 -1.199) 2.183 4.173 ( 1.105 0.000 -2.131) 2.401 4.321 ( 0.055 0.000 0.836) 0.838 4.515 ( 3.836 0.000 -4.044) 5.574 5.067 ( -1.964 -0.000 -1.082) 2.242 5.567 ( 8.238 0.000 6.727) 10.636 5.790 ( -17.842 -0.000 -1.135) 17.878 5.876 ( 1.349 0.000 0.007) 1.349 5.999 ( 0.947 0.000 0.016) 0.947 6.158 ( -7.290 -0.000 -6.143) 9.533 10.105 ( 1.477 0.000 0.897) 1.729 10.838 ( 1.157 0.000 -0.445) 1.239 10.967 ( 0.973 0.000 -0.042) 0.974 11.619 ( -0.113 -0.000 0.021) 0.114 14.596 ( 1.391 0.000 -0.141) 1.398 14.694 ( 0.207 0.000 -0.912) 0.935 33.732 ( 1.574 0.000 -6.684) 6.867 34.298 ( 9.963 0.000 6.514) 11.904 ======================= Grid point 273 (125/168) ======================= q-point: ( 0.27 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( 12.896 -7.829 -10.578) 18.425 1.178 ( 3.309 -5.524 -4.216) 7.696 1.527 ( 3.167 -13.971 5.650) 15.400 1.552 ( 7.625 -7.919 14.165) 17.930 2.082 ( 5.907 -1.031 -6.471) 8.822 2.132 ( 2.320 -0.176 2.270) 3.251 2.352 ( -0.279 -4.318 -7.736) 8.864 2.465 ( 7.839 -7.416 -1.733) 10.929 2.626 ( 1.569 -0.868 -3.275) 3.734 2.666 ( -4.647 -3.815 4.036) 7.241 2.858 ( 1.693 -5.692 -3.816) 7.059 3.008 ( -3.722 -1.118 0.331) 3.901 3.170 ( -8.439 -3.102 2.889) 9.444 3.235 ( 7.994 0.300 13.133) 15.378 3.309 ( -5.200 5.996 -6.751) 10.420 3.429 ( -0.982 0.215 -5.332) 5.426 3.534 ( 1.391 0.000 9.936) 10.033 3.783 ( 1.749 6.807 3.335) 7.779 4.004 ( -0.523 -2.844 2.326) 3.711 4.180 ( 2.745 -0.180 -2.193) 3.518 4.395 ( -1.433 -6.302 1.952) 6.751 4.507 ( 2.046 0.570 -4.849) 5.293 5.039 ( -1.780 0.729 -1.853) 2.671 5.549 ( -5.866 10.043 0.480) 11.641 5.623 ( 0.973 0.625 0.169) 1.168 5.906 ( -0.920 1.753 1.915) 2.754 6.062 ( -6.135 -3.727 -3.749) 8.098 6.082 ( -3.547 -2.320 1.296) 4.432 10.116 ( 1.577 0.250 0.595) 1.704 10.845 ( 1.190 -0.031 -0.232) 1.213 10.981 ( 0.871 -0.708 -0.057) 1.124 11.629 ( -0.327 -1.038 0.115) 1.094 14.594 ( 0.969 0.973 -0.306) 1.407 14.678 ( -0.502 0.833 -1.303) 1.626 33.678 ( 4.107 5.000 -5.154) 8.272 34.300 ( 9.614 9.603 5.459) 14.644 ======================= Grid point 274 (126/168) ======================= q-point: ( 0.36 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 10.994 -12.561 -6.337) 17.855 1.328 ( -0.184 -8.780 4.324) 9.788 1.744 ( 5.136 -2.373 7.615) 9.487 1.851 ( 7.887 -13.145 0.585) 15.341 2.055 ( 5.257 2.125 -1.129) 5.781 2.335 ( 5.367 -11.483 2.893) 13.001 2.411 ( -5.336 -5.576 -0.721) 7.752 2.559 ( -4.454 0.548 1.508) 4.734 2.720 ( 6.818 -11.679 -10.002) 16.820 2.770 ( -2.280 -9.351 0.475) 9.636 2.836 ( -3.503 2.036 -0.798) 4.129 3.061 ( -5.680 3.803 -8.395) 10.826 3.132 ( 1.198 0.116 -6.171) 6.288 3.211 ( -4.336 -5.652 4.304) 8.323 3.324 ( 2.926 3.230 9.804) 10.729 3.441 ( 1.537 -6.527 -3.936) 7.776 3.595 ( -0.629 0.001 8.237) 8.261 3.733 ( 6.881 1.584 5.514) 8.959 4.028 ( -0.300 -0.032 1.377) 1.410 4.202 ( 3.878 -1.288 -2.330) 4.704 4.457 ( -1.540 -1.094 -2.462) 3.103 4.539 ( -1.974 -5.121 1.168) 5.611 5.005 ( -0.704 0.869 -2.292) 2.551 5.335 ( -4.186 7.829 -2.381) 9.192 5.625 ( 2.313 1.551 1.720) 3.273 5.834 ( -2.062 4.330 1.148) 4.931 5.989 ( -5.717 1.735 -3.495) 6.922 6.146 ( -5.249 -1.844 3.708) 6.686 10.125 ( 1.565 0.178 0.272) 1.598 10.854 ( 1.024 -0.148 -0.163) 1.047 11.001 ( 0.587 -0.782 -0.003) 0.978 11.648 ( -0.583 -1.265 0.181) 1.405 14.578 ( 0.497 1.051 -0.430) 1.239 14.654 ( -0.332 0.842 -0.902) 1.278 33.575 ( 4.942 7.878 -2.321) 9.585 34.166 ( 9.141 13.652 2.573) 16.630 ======================= Grid point 275 (127/168) ======================= q-point: ( 0.45 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.567 -14.115 -5.611) 15.270 1.503 ( -0.789 -8.165 2.975) 8.726 1.827 ( 3.042 -2.061 4.808) 6.052 2.046 ( 3.984 -1.443 9.193) 10.123 2.136 ( 12.275 -5.371 -8.550) 15.894 2.402 ( -2.599 3.283 0.894) 4.282 2.472 ( -8.019 -3.118 7.494) 11.410 2.598 ( -1.903 -4.182 -8.244) 9.438 2.735 ( -1.674 1.606 -7.998) 8.328 2.905 ( 0.103 -2.597 3.193) 4.117 2.924 ( -4.156 -3.229 2.358) 5.767 3.021 ( 2.556 -11.880 -2.263) 12.361 3.098 ( -0.146 1.095 -4.115) 4.261 3.293 ( 3.183 4.878 6.174) 8.488 3.313 ( 1.895 -6.826 -1.513) 7.244 3.531 ( -2.445 5.666 3.044) 6.881 3.580 ( 0.779 -5.436 -3.918) 6.746 3.918 ( 9.462 -8.553 8.129) 15.124 4.043 ( -0.106 -2.297 0.609) 2.379 4.306 ( 1.651 -8.755 -2.441) 9.238 4.463 ( -1.020 -3.569 -2.851) 4.680 4.601 ( -3.320 -2.350 1.380) 4.296 4.982 ( 0.795 0.515 -1.882) 2.107 5.185 ( -1.576 5.484 -1.069) 5.806 5.615 ( 1.767 1.663 1.291) 2.748 5.760 ( -1.344 2.534 1.146) 3.089 5.879 ( -5.256 4.689 -2.244) 7.392 6.089 ( -6.076 4.617 1.990) 7.886 10.134 ( 1.251 0.134 0.134) 1.266 10.863 ( 0.702 -0.175 -0.229) 0.759 11.017 ( 0.392 -0.591 0.072) 0.713 11.667 ( -0.565 -1.110 0.150) 1.255 14.563 ( 0.220 0.670 -0.280) 0.758 14.637 ( -0.021 0.505 -0.433) 0.666 33.448 ( 3.770 8.692 -0.265) 9.479 33.977 ( 7.100 13.775 0.589) 15.509 ======================= Grid point 276 (128/168) ======================= q-point: ( 0.55 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -8.602 -9.009 -3.338) 12.896 1.634 ( -1.489 -7.936 -4.430) 9.210 1.936 ( 1.989 -5.212 6.070) 8.244 2.130 ( 5.241 1.230 6.318) 8.300 2.228 ( 4.332 -0.280 -6.150) 7.527 2.326 ( 1.383 1.790 -0.817) 2.405 2.497 ( -4.870 3.143 -1.863) 6.088 2.531 ( -4.408 -4.937 2.926) 7.236 2.697 ( -0.561 -0.156 -4.013) 4.055 2.916 ( 2.522 3.780 1.772) 4.878 2.983 ( -0.142 -2.055 -4.531) 4.977 3.071 ( 3.619 2.454 -0.408) 4.392 3.161 ( -2.138 -3.098 10.199) 10.871 3.260 ( 3.636 3.367 2.731) 5.658 3.395 ( -3.842 4.716 3.198) 6.872 3.560 ( 2.584 -14.740 -1.770) 15.069 3.616 ( 2.724 0.071 -6.458) 7.009 4.089 ( -0.114 -4.470 2.769) 5.260 4.179 ( 6.302 -4.022 3.771) 8.374 4.424 ( -2.165 -8.579 -5.418) 10.375 4.582 ( -3.204 0.715 0.143) 3.285 4.637 ( 0.913 -12.705 -2.035) 12.900 4.990 ( 1.541 -0.934 -0.261) 1.821 5.095 ( 0.294 4.185 1.056) 4.327 5.620 ( 2.222 -0.935 0.914) 2.578 5.725 ( -4.704 5.533 0.571) 7.284 5.731 ( -1.503 1.625 -0.995) 2.428 5.927 ( -4.484 8.219 -0.026) 9.363 10.138 ( 0.729 0.343 0.070) 0.809 10.868 ( 0.325 -0.038 -0.289) 0.437 11.029 ( 0.308 -0.334 0.055) 0.458 11.682 ( -0.348 -0.870 0.094) 0.942 14.554 ( 0.052 0.359 -0.105) 0.378 14.631 ( 0.202 0.172 -0.101) 0.284 33.319 ( 1.776 7.293 0.486) 7.522 33.782 ( 3.962 11.724 -0.144) 12.377 ======================= Grid point 277 (129/168) ======================= q-point: ( 0.64 0.18 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( -8.313 -4.789 -2.169) 9.836 1.720 ( -6.757 -6.397 -6.094) 11.122 2.030 ( -0.838 8.203 -5.097) 9.694 2.084 ( 4.006 -3.700 1.178) 5.579 2.177 ( -2.611 5.542 3.110) 6.870 2.366 ( 5.854 -2.903 -3.594) 7.458 2.476 ( -1.618 -1.543 5.944) 6.351 2.644 ( 0.333 -7.245 4.802) 8.699 2.693 ( 1.900 0.275 2.091) 2.839 2.880 ( 4.856 4.331 2.262) 6.889 2.965 ( -0.624 1.271 -6.606) 6.756 2.994 ( -0.965 2.933 -1.996) 3.676 3.181 ( -3.443 2.934 10.106) 11.072 3.254 ( 2.613 2.567 1.372) 3.911 3.404 ( 3.159 -4.592 5.006) 7.492 3.589 ( 3.417 1.119 -7.274) 8.114 3.805 ( -1.646 -11.422 -2.698) 11.851 4.118 ( -1.030 7.542 -3.092) 8.216 4.171 ( 1.331 2.811 3.059) 4.362 4.558 ( -1.154 -5.202 1.443) 5.520 4.620 ( 1.176 -7.654 -2.234) 8.060 4.808 ( -2.019 -6.652 -2.606) 7.424 4.983 ( 1.957 6.347 1.032) 6.721 5.029 ( -0.350 3.552 2.459) 4.334 5.555 ( -4.964 6.765 -0.063) 8.391 5.718 ( 1.171 -4.159 -0.805) 4.395 5.749 ( 1.780 -6.739 -0.092) 6.970 5.788 ( -1.281 2.726 -0.477) 3.050 10.132 ( 0.212 0.712 0.016) 0.743 10.866 ( 0.031 0.225 -0.293) 0.371 11.034 ( 0.275 -0.041 -0.086) 0.291 11.694 ( -0.103 -0.585 0.025) 0.594 14.549 ( -0.045 0.180 0.024) 0.187 14.631 ( 0.279 0.010 0.084) 0.292 33.222 ( 0.109 3.925 0.556) 3.966 33.614 ( 0.944 8.138 -0.127) 8.193 ======================= Grid point 278 (130/168) ======================= q-point: (-0.27 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.534 ( -1.242 -5.616 -0.478) 5.772 1.719 ( -6.276 -0.804 -4.114) 7.547 1.772 ( -4.989 11.358 -6.324) 13.925 2.005 ( -2.272 9.743 0.459) 10.015 2.218 ( 7.264 -2.360 1.864) 7.862 2.405 ( -3.154 0.049 -2.878) 4.270 2.541 ( 4.728 -0.471 5.533) 7.293 2.686 ( -2.530 3.752 7.894) 9.099 2.774 ( 1.813 0.106 2.171) 2.831 2.878 ( 3.586 -1.219 2.591) 4.589 2.921 ( 0.005 -5.441 -0.145) 5.443 3.005 ( -1.021 -5.462 -7.766) 9.549 3.174 ( -2.490 0.542 5.435) 6.003 3.230 ( 1.876 0.916 1.513) 2.578 3.507 ( -0.203 -0.306 2.979) 3.002 3.610 ( 7.612 -3.026 -4.567) 9.379 3.828 ( -0.612 18.312 -3.332) 18.623 3.927 ( -2.663 -4.500 -2.870) 5.965 4.112 ( -0.755 5.919 1.105) 6.068 4.649 ( 0.259 6.074 -0.953) 6.154 4.670 ( -0.541 -3.533 2.254) 4.226 4.732 ( -1.672 15.851 0.764) 15.957 4.865 ( -0.855 -2.614 -1.110) 2.966 5.063 ( 0.982 -5.590 0.741) 5.724 5.449 ( -1.766 1.251 -0.556) 2.234 5.726 ( -0.011 0.401 -0.669) 0.780 5.831 ( 0.508 -5.763 2.071) 6.144 5.995 ( 1.913 -14.637 -2.424) 14.959 10.116 ( -0.084 1.019 -0.021) 1.023 10.858 ( -0.083 0.507 -0.253) 0.572 11.033 ( 0.257 0.261 -0.261) 0.450 11.701 ( 0.025 -0.213 -0.065) 0.224 14.546 ( -0.055 0.113 0.087) 0.153 14.634 ( 0.190 -0.025 0.090) 0.211 33.193 ( -0.498 -0.760 0.912) 1.287 33.505 ( -0.762 3.633 -0.069) 3.712 ======================= Grid point 279 (131/168) ======================= q-point: (-0.18 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -2.876 13.260 -4.404) 14.266 1.659 ( -3.423 1.296 4.014) 5.432 1.706 ( 3.300 -2.760 -0.397) 4.321 1.808 ( -1.110 9.495 -0.277) 9.564 2.262 ( 7.578 6.002 -1.237) 9.746 2.308 ( -2.819 4.048 -1.247) 5.088 2.517 ( -4.346 1.015 -0.352) 4.477 2.685 ( 0.567 -0.004 1.666) 1.760 2.800 ( -0.816 -3.362 6.718) 7.556 2.941 ( -0.302 -1.260 3.031) 3.296 3.065 ( 1.185 -3.435 -1.239) 3.839 3.102 ( -0.886 -7.952 -1.641) 8.168 3.151 ( -0.054 -1.040 0.265) 1.075 3.278 ( 1.512 -2.242 2.410) 3.623 3.345 ( -0.472 20.327 2.547) 20.492 3.572 ( 1.170 1.138 -6.245) 6.455 3.705 ( 3.398 1.711 0.310) 3.816 3.808 ( 0.372 16.042 -5.314) 16.904 4.023 ( -1.694 1.274 0.332) 2.145 4.420 ( -1.215 11.663 3.106) 12.130 4.473 ( -0.359 9.577 -0.940) 9.630 4.739 ( -0.900 -0.727 -0.165) 1.169 4.925 ( 0.821 -3.775 -0.581) 3.907 5.184 ( -0.007 -5.281 1.698) 5.547 5.478 ( 0.726 -4.859 -0.472) 4.936 5.728 ( -0.302 -1.316 -0.961) 1.658 5.965 ( -0.082 -6.806 2.904) 7.400 6.231 ( -0.245 -10.845 -3.107) 11.284 10.096 ( -0.018 1.061 -0.016) 1.061 10.846 ( 0.006 0.681 -0.194) 0.708 11.026 ( 0.238 0.564 -0.389) 0.725 11.700 ( -0.043 0.294 -0.148) 0.332 14.545 ( 0.066 0.058 0.031) 0.093 14.635 ( 0.040 -0.044 0.003) 0.060 33.259 ( 0.010 -6.147 1.861) 6.422 33.475 ( -0.133 -0.917 -0.322) 0.981 ======================= Grid point 280 (132/168) ======================= q-point: (-0.09 0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( -1.106 9.634 0.230) 9.700 1.517 ( -5.246 11.410 11.397) 16.959 1.629 ( 0.416 9.585 -1.944) 9.789 1.790 ( 10.143 1.641 -7.154) 12.520 2.145 ( -8.131 1.388 -1.941) 8.474 2.254 ( 4.859 4.331 -1.609) 6.706 2.525 ( 0.910 -2.315 2.382) 3.444 2.652 ( 0.652 6.365 -2.137) 6.746 2.831 ( 2.929 14.483 6.054) 15.968 2.881 ( -3.787 1.647 5.023) 6.502 2.955 ( 0.547 6.429 -1.084) 6.542 3.138 ( -2.164 -3.139 5.646) 6.813 3.225 ( 0.984 1.991 -0.362) 2.250 3.255 ( -1.369 -6.092 0.326) 6.253 3.307 ( 1.527 6.864 -2.077) 7.332 3.392 ( -1.040 9.873 -4.170) 10.768 3.568 ( 0.744 -1.287 -5.339) 5.542 3.650 ( 3.046 7.707 -4.351) 9.360 3.996 ( -0.619 1.404 2.059) 2.568 4.332 ( 1.537 3.015 3.204) 4.660 4.343 ( -0.239 2.051 -0.444) 2.112 4.695 ( -1.302 4.108 -1.027) 4.430 4.998 ( 0.194 -3.650 -0.314) 3.669 5.261 ( -0.188 -2.961 1.620) 3.380 5.609 ( 0.787 -8.003 -0.723) 8.074 5.763 ( -0.799 -3.185 -0.313) 3.299 6.086 ( -1.462 -5.177 3.109) 6.213 6.343 ( -2.915 -4.022 -3.525) 6.091 10.080 ( 0.398 0.752 0.064) 0.853 10.834 ( 0.286 0.618 -0.130) 0.694 11.013 ( 0.211 0.926 -0.456) 1.053 11.687 ( -0.272 0.946 -0.131) 0.993 14.547 ( 0.349 -0.197 -0.153) 0.429 14.638 ( 0.248 -0.226 0.069) 0.343 33.425 ( -1.309 -10.741 1.137) 10.880 33.545 ( 5.399 -5.464 0.509) 7.698 ======================= Grid point 284 (133/168) ======================= q-point: ( 0.27 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( 25.858 0.000 -0.810) 25.870 1.139 ( 11.206 0.000 -14.034) 17.959 1.425 ( -1.264 -0.000 12.538) 12.601 1.600 ( 10.032 0.000 14.492) 17.625 2.086 ( 4.076 0.000 -2.476) 4.769 2.164 ( 2.194 0.000 -2.072) 3.018 2.233 ( -9.518 -0.000 -1.900) 9.706 2.451 ( 13.827 0.000 -12.037) 18.332 2.596 ( -11.085 -0.000 6.391) 12.795 2.661 ( 10.131 0.000 -2.472) 10.429 2.785 ( 0.227 0.000 -3.641) 3.648 2.973 ( -5.917 -0.000 -0.902) 5.986 3.087 ( -8.137 -0.000 4.423) 9.261 3.270 ( -6.196 -0.000 -9.824) 11.615 3.369 ( 6.747 0.000 12.012) 13.777 3.387 ( -4.430 -0.000 -2.920) 5.305 3.606 ( 2.502 0.000 11.117) 11.395 3.886 ( -1.927 -0.000 -1.140) 2.239 3.957 ( 1.340 0.000 7.044) 7.171 4.211 ( 5.715 0.000 0.060) 5.715 4.330 ( 0.016 0.000 1.015) 1.016 4.498 ( 0.927 0.000 -7.257) 7.316 5.020 ( -2.115 -0.000 -2.533) 3.300 5.533 ( -10.673 -0.000 -4.916) 11.751 5.727 ( 1.919 0.000 7.858) 8.089 5.896 ( 1.436 0.000 -0.014) 1.436 6.006 ( -7.552 -0.000 -2.238) 7.877 6.013 ( 0.969 0.000 -0.001) 0.969 10.132 ( 1.369 0.000 0.544) 1.473 10.853 ( 1.144 0.000 -0.206) 1.162 10.982 ( 1.073 0.000 -0.034) 1.074 11.618 ( -0.125 -0.000 0.021) 0.127 14.607 ( 0.132 0.000 -0.524) 0.541 14.675 ( -0.574 -0.000 -1.496) 1.602 33.742 ( 6.030 0.000 -3.908) 7.186 34.476 ( 6.301 0.000 5.893) 8.628 ======================= Grid point 285 (134/168) ======================= q-point: ( 0.36 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.985 ( 21.086 0.353 -1.796) 21.166 1.242 ( 9.359 -5.609 -0.415) 10.919 1.617 ( 3.460 -14.514 3.718) 15.377 1.780 ( 7.924 -3.377 10.554) 13.623 2.098 ( 1.977 -1.228 -2.098) 3.133 2.177 ( -0.552 -4.175 0.340) 4.225 2.257 ( -5.916 -7.426 -0.079) 9.495 2.540 ( -10.759 -0.630 4.369) 11.629 2.555 ( 11.064 -5.792 -10.265) 16.166 2.694 ( 4.279 0.300 -2.049) 4.754 2.828 ( -0.224 -1.063 -3.767) 3.921 2.969 ( 0.682 -6.689 -4.062) 7.855 3.086 ( -7.064 -3.217 4.794) 9.123 3.136 ( -6.215 3.780 -8.047) 10.847 3.343 ( -4.279 -1.051 -5.137) 6.768 3.447 ( 4.089 1.524 10.797) 11.645 3.648 ( 0.930 1.441 8.921) 9.085 3.830 ( 0.954 2.997 1.736) 3.592 4.018 ( -0.716 -1.495 3.453) 3.831 4.248 ( 6.232 1.090 0.728) 6.368 4.384 ( -1.536 -4.119 0.284) 4.405 4.474 ( 1.175 -0.573 -4.618) 4.799 4.993 ( -1.474 0.096 -2.779) 3.147 5.403 ( -6.386 4.566 -3.546) 8.614 5.705 ( 2.018 3.790 3.391) 5.472 5.896 ( -3.342 3.909 1.327) 5.311 5.940 ( -3.234 -1.363 -2.290) 4.191 6.075 ( -1.750 -3.927 2.320) 4.885 10.141 ( 1.286 0.207 0.299) 1.337 10.860 ( 0.962 -0.004 -0.209) 0.984 10.994 ( 0.866 -0.490 0.025) 0.995 11.625 ( -0.268 -0.848 0.060) 0.892 14.595 ( -0.219 0.756 -0.741) 1.081 14.661 ( -0.129 0.581 -0.844) 1.033 33.731 ( 6.505 4.976 -1.456) 8.318 34.449 ( 5.252 8.985 3.316) 10.923 ======================= Grid point 286 (135/168) ======================= q-point: ( 0.45 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( 10.294 -4.195 -4.190) 11.879 1.411 ( 5.873 -5.082 3.392) 8.475 1.831 ( 0.683 -1.708 2.526) 3.125 1.967 ( 5.058 -12.022 1.080) 13.087 2.121 ( 2.634 -0.513 0.460) 2.723 2.344 ( -5.207 -6.347 4.065) 9.161 2.393 ( 0.309 -13.315 0.335) 13.322 2.473 ( -4.720 2.667 3.041) 6.216 2.686 ( -0.554 -2.950 -8.249) 8.778 2.784 ( 5.251 -9.559 -3.754) 11.534 2.832 ( 1.796 -4.562 0.820) 4.971 2.929 ( -4.496 4.176 -3.928) 7.286 3.074 ( -3.978 -1.038 -0.834) 4.195 3.223 ( 3.978 -6.701 -2.522) 8.191 3.358 ( -1.448 -6.472 -4.607) 8.075 3.471 ( 0.953 1.178 5.812) 6.006 3.637 ( -0.825 3.660 7.101) 8.031 3.853 ( 2.808 -4.559 3.229) 6.253 4.028 ( -1.340 0.271 2.039) 2.455 4.267 ( 3.164 0.449 -0.983) 3.343 4.400 ( -0.647 -0.698 -3.101) 3.244 4.531 ( 0.135 -3.771 1.818) 4.189 4.977 ( -0.182 -0.283 -2.323) 2.347 5.266 ( -2.592 5.270 -1.962) 6.192 5.671 ( 1.443 2.487 1.773) 3.378 5.804 ( -2.764 3.401 0.611) 4.425 5.904 ( -2.980 2.298 -1.080) 3.915 6.103 ( -3.866 0.203 1.734) 4.242 10.147 ( 1.105 0.219 0.157) 1.137 10.865 ( 0.681 -0.041 -0.312) 0.750 11.010 ( 0.568 -0.595 0.147) 0.835 11.642 ( -0.400 -1.154 0.083) 1.224 14.577 ( 0.014 0.791 -0.423) 0.897 14.646 ( 0.071 0.667 -0.398) 0.780 33.644 ( 5.083 8.664 0.415) 10.054 34.282 ( 4.779 13.468 0.806) 14.313 ======================= Grid point 287 (136/168) ======================= q-point: ( 0.55 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 0.821 -6.372 -4.185) 7.668 1.524 ( 1.389 -3.515 -0.487) 3.810 1.878 ( -1.099 -3.696 3.129) 4.966 2.143 ( 0.347 -5.497 -6.480) 8.505 2.186 ( 3.556 -3.499 4.851) 6.958 2.379 ( -0.670 2.900 0.078) 2.977 2.441 ( -3.351 -3.533 8.822) 10.077 2.536 ( -1.385 2.963 -1.465) 3.584 2.642 ( -0.925 -2.622 -6.787) 7.334 2.885 ( -2.109 -3.573 -2.619) 4.906 2.949 ( 1.456 -2.774 1.013) 3.292 3.042 ( 5.705 -11.060 -5.323) 13.535 3.092 ( -2.764 -4.626 6.268) 8.266 3.318 ( 1.069 -5.558 -2.120) 6.044 3.394 ( 2.712 4.341 4.883) 7.074 3.500 ( 0.154 -1.800 -5.809) 6.083 3.600 ( 1.372 1.630 6.886) 7.208 4.023 ( -1.588 -2.244 0.659) 2.827 4.088 ( 3.975 -12.562 3.330) 13.590 4.282 ( -1.338 -2.807 -2.739) 4.144 4.428 ( 0.070 -5.489 -3.214) 6.361 4.579 ( -0.764 -0.548 1.300) 1.604 4.983 ( 0.997 -0.799 -1.063) 1.662 5.162 ( -0.885 3.830 -0.603) 3.977 5.650 ( 1.511 1.573 1.515) 2.655 5.744 ( -1.596 1.707 0.087) 2.339 5.806 ( -2.893 5.540 -0.386) 6.262 6.025 ( -3.784 5.427 0.219) 6.619 10.150 ( 0.710 0.307 0.102) 0.781 10.868 ( 0.348 -0.038 -0.367) 0.507 11.025 ( 0.383 -0.466 0.176) 0.628 11.661 ( -0.327 -1.139 0.079) 1.188 14.563 ( 0.078 0.612 -0.154) 0.636 14.637 ( 0.208 0.364 -0.132) 0.439 33.501 ( 2.727 9.996 1.001) 10.409 34.054 ( 3.261 14.363 -0.270) 14.731 ======================= Grid point 288 (137/168) ======================= q-point: ( 0.64 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( -4.260 -5.683 -3.177) 7.781 1.573 ( -1.594 -3.372 -3.514) 5.125 1.988 ( -0.445 -6.794 4.011) 7.902 2.146 ( 0.413 2.385 -7.256) 7.649 2.267 ( -1.042 4.618 3.628) 5.964 2.334 ( 3.829 -1.936 -3.007) 5.239 2.448 ( -3.709 -0.488 4.634) 5.956 2.551 ( -0.366 -5.495 8.619) 10.228 2.675 ( 1.316 -2.162 -3.583) 4.386 2.893 ( -0.036 -1.316 -9.086) 9.180 2.956 ( 0.336 1.169 0.195) 1.231 3.130 ( 0.495 2.882 1.741) 3.403 3.235 ( -0.617 -1.378 9.880) 9.994 3.337 ( 4.615 1.492 0.589) 4.885 3.379 ( -1.192 0.304 2.334) 2.638 3.576 ( 2.030 -9.777 -3.479) 10.574 3.615 ( 2.402 1.657 -1.004) 3.086 4.083 ( -1.964 -5.134 -0.333) 5.507 4.239 ( -0.742 -0.809 -0.657) 1.279 4.398 ( 2.309 -9.952 0.799) 10.248 4.555 ( -0.358 0.971 0.104) 1.040 4.606 ( -1.660 -12.904 -3.409) 13.449 5.006 ( 0.640 -0.811 0.056) 1.035 5.115 ( 0.697 1.588 1.079) 2.042 5.655 ( -0.157 0.568 0.999) 1.160 5.663 ( -0.293 6.301 -0.204) 6.311 5.716 ( -1.421 0.206 -0.200) 1.449 5.875 ( -1.928 7.248 -0.726) 7.535 10.146 ( 0.262 0.566 0.056) 0.627 10.868 ( 0.085 0.070 -0.321) 0.339 11.034 ( 0.289 -0.228 0.040) 0.370 11.679 ( -0.149 -0.953 0.061) 0.967 14.554 ( 0.003 0.372 -0.033) 0.373 14.634 ( 0.240 0.086 0.014) 0.255 33.344 ( 0.679 8.455 0.768) 8.517 33.817 ( 1.253 12.644 -0.327) 12.710 ======================= Grid point 289 (138/168) ======================= q-point: (-0.27 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( 0.536 -7.314 -0.736) 7.370 1.603 ( -2.652 -3.431 -3.325) 5.464 1.958 ( -1.993 11.463 -3.542) 12.162 2.138 ( 1.300 1.541 -1.133) 2.313 2.174 ( -1.429 -1.339 5.904) 6.221 2.349 ( -1.107 -1.835 -5.177) 5.604 2.559 ( 3.014 -4.731 7.664) 9.498 2.699 ( -3.996 -2.674 5.900) 7.611 2.713 ( 1.565 -6.563 0.731) 6.786 2.880 ( 0.937 -1.783 -10.216) 10.413 2.934 ( 1.826 2.236 -0.634) 2.955 3.010 ( 0.527 9.113 1.286) 9.218 3.206 ( -4.055 3.093 8.950) 10.301 3.283 ( 0.664 3.308 1.813) 3.830 3.504 ( 3.553 -3.448 1.948) 5.320 3.584 ( 4.231 -0.411 -6.709) 7.942 3.753 ( -1.396 -9.803 -2.429) 10.196 4.065 ( -1.676 7.693 -2.274) 8.195 4.206 ( 0.335 3.418 1.565) 3.774 4.563 ( -0.681 -6.131 2.179) 6.543 4.616 ( -0.536 -7.641 -1.012) 7.726 4.768 ( 0.321 -6.174 -2.282) 6.590 5.014 ( -0.200 -0.397 0.484) 0.657 5.040 ( 0.861 11.013 1.431) 11.139 5.515 ( -0.115 6.626 -0.074) 6.627 5.720 ( -0.032 -4.453 -0.295) 4.463 5.751 ( -0.425 -5.170 -0.706) 5.236 5.779 ( -0.251 -0.528 0.259) 0.639 10.134 ( -0.006 0.871 0.013) 0.871 10.864 ( -0.007 0.275 -0.215) 0.349 11.037 ( 0.234 0.045 -0.173) 0.294 11.693 ( -0.035 -0.628 0.030) 0.630 14.549 ( -0.036 0.171 0.045) 0.180 14.635 ( 0.153 0.002 0.006) 0.153 33.226 ( -0.290 4.416 0.563) 4.461 33.621 ( 0.114 8.853 -0.156) 8.855 ======================= Grid point 290 (139/168) ======================= q-point: (-0.18 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.550 ( 1.678 -4.113 -1.636) 4.734 1.650 ( 0.488 -0.444 0.852) 1.077 1.719 ( 3.456 7.570 0.087) 8.322 1.986 ( -1.528 9.739 1.872) 10.034 2.285 ( -1.997 -2.673 -2.997) 4.485 2.352 ( 1.379 -1.159 0.921) 2.022 2.587 ( -4.559 6.044 0.935) 7.628 2.709 ( -0.587 0.321 7.767) 7.796 2.792 ( -1.078 0.897 0.612) 1.530 2.918 ( 2.708 -1.296 -0.008) 3.002 2.932 ( -1.034 -5.505 -5.538) 7.877 2.953 ( 1.996 -6.433 -2.577) 7.212 3.172 ( -3.503 1.657 5.085) 6.393 3.267 ( 0.874 -0.066 1.074) 1.387 3.503 ( -0.803 0.996 -0.584) 1.406 3.661 ( 3.574 -2.992 -6.538) 8.030 3.806 ( 1.230 16.362 -1.724) 16.498 3.888 ( 0.165 -4.934 0.567) 4.969 4.115 ( -0.455 7.632 1.045) 7.717 4.626 ( -2.669 6.408 1.124) 7.032 4.677 ( -1.325 -4.538 2.078) 5.164 4.735 ( 2.050 15.938 -0.611) 16.081 4.875 ( 3.422 -1.387 -1.392) 3.946 5.068 ( -1.119 -6.207 0.323) 6.316 5.445 ( 1.733 1.163 -0.224) 2.099 5.721 ( -0.080 0.760 -0.242) 0.801 5.845 ( -0.527 -6.527 1.030) 6.629 5.974 ( -2.688 -14.239 -0.769) 14.511 10.116 ( 0.076 1.031 -0.005) 1.034 10.856 ( 0.092 0.497 -0.107) 0.517 11.034 ( 0.196 0.311 -0.336) 0.498 11.700 ( -0.091 -0.171 0.008) 0.194 14.547 ( 0.027 0.077 0.049) 0.095 14.636 ( 0.051 0.013 -0.081) 0.097 33.195 ( -0.150 -1.082 0.699) 1.297 33.506 ( 1.038 3.706 -0.176) 3.853 ======================= Grid point 291 (140/168) ======================= q-point: (-0.09 0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 0.860 13.033 3.834) 13.612 1.636 ( 0.043 -0.654 1.501) 1.637 1.785 ( -1.577 9.448 3.857) 10.326 1.853 ( 12.278 -1.354 -2.722) 12.648 2.149 ( -7.776 7.599 -6.490) 12.662 2.398 ( 4.996 6.094 -0.544) 7.899 2.484 ( -2.400 -3.604 5.399) 6.921 2.678 ( -1.515 1.438 -0.759) 2.222 2.810 ( -3.471 -2.876 3.399) 5.645 2.984 ( 3.567 0.539 1.817) 4.039 3.035 ( -3.596 -6.800 0.869) 7.741 3.077 ( -1.073 -5.851 -4.802) 7.645 3.145 ( -1.267 -1.636 1.546) 2.583 3.279 ( -0.980 -0.826 -3.242) 3.486 3.401 ( 2.554 16.144 3.717) 16.762 3.538 ( 1.491 1.618 -5.275) 5.716 3.718 ( 1.124 1.617 -4.369) 4.793 3.785 ( 0.700 17.790 -0.735) 17.819 4.024 ( -0.044 0.905 2.689) 2.838 4.452 ( 1.671 7.849 2.738) 8.479 4.486 ( 2.936 12.794 -0.231) 13.129 4.719 ( -2.199 -0.186 1.005) 2.425 4.935 ( 1.565 -3.108 -1.020) 3.626 5.179 ( -1.817 -5.963 0.132) 6.235 5.493 ( 2.114 -4.453 -1.074) 5.045 5.720 ( -0.354 -0.990 0.360) 1.112 5.967 ( -1.767 -6.916 0.396) 7.149 6.174 ( -5.324 -10.177 0.075) 11.486 10.100 ( 0.517 0.916 0.025) 1.052 10.847 ( 0.354 0.611 -0.030) 0.707 11.026 ( 0.165 0.586 -0.402) 0.729 11.697 ( -0.311 0.401 0.049) 0.510 14.547 ( 0.234 -0.022 -0.079) 0.248 14.636 ( 0.117 -0.132 -0.078) 0.193 33.267 ( 0.043 -6.232 0.216) 6.235 33.512 ( 4.906 -2.386 0.138) 5.458 ======================= Grid point 296 (141/168) ======================= q-point: ( 0.36 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 11.567 0.000 -8.300) 14.236 1.238 ( 24.971 0.000 5.950) 25.670 1.501 ( 0.883 0.000 5.918) 5.984 1.855 ( 8.984 0.000 11.267) 14.410 2.057 ( -10.877 -0.000 -2.840) 11.242 2.102 ( -0.741 -0.000 -0.071) 0.744 2.159 ( -1.369 -0.000 -1.079) 1.743 2.474 ( -11.025 -0.000 7.220) 13.179 2.551 ( 12.115 0.000 -9.950) 15.677 2.748 ( -0.086 -0.000 -4.156) 4.157 2.779 ( 9.705 0.000 -4.468) 10.684 2.882 ( -3.346 -0.000 -4.596) 5.685 3.030 ( -6.803 -0.000 7.308) 9.984 3.097 ( -6.079 -0.000 -6.314) 8.765 3.276 ( -5.735 -0.000 -4.629) 7.370 3.511 ( 0.540 0.000 3.302) 3.346 3.717 ( 1.661 0.000 10.235) 10.369 3.853 ( -1.341 -0.000 -0.863) 1.595 4.021 ( -0.008 -0.000 5.192) 5.192 4.283 ( 0.121 0.000 -2.432) 2.435 4.338 ( -0.087 -0.000 0.935) 0.939 4.492 ( 7.756 0.000 -0.728) 7.790 4.970 ( -1.283 -0.000 -2.974) 3.238 5.383 ( -5.404 -0.000 -3.391) 6.380 5.759 ( -1.512 -0.000 0.783) 1.703 5.915 ( 1.066 0.000 -0.033) 1.066 5.923 ( -5.345 -0.000 4.093) 6.732 6.026 ( 0.697 0.000 -0.027) 0.698 10.153 ( 0.959 0.000 0.211) 0.982 10.865 ( 0.760 0.000 -0.214) 0.790 10.996 ( 0.838 0.000 -0.020) 0.838 11.616 ( -0.100 -0.000 0.016) 0.102 14.595 ( -0.347 -0.000 -0.784) 0.857 14.664 ( 0.004 0.000 -0.425) 0.425 33.825 ( 6.627 0.000 0.164) 6.629 34.572 ( 2.158 0.000 2.306) 3.158 ======================= Grid point 297 (142/168) ======================= q-point: ( 0.45 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 11.671 3.971 -3.169) 12.729 1.428 ( 9.405 -1.379 3.667) 10.189 1.690 ( 4.468 -13.016 -0.005) 13.761 1.892 ( -2.356 1.675 0.356) 2.913 2.102 ( -3.450 -6.756 5.238) 9.218 2.140 ( -0.446 -5.908 0.504) 5.946 2.218 ( -0.579 -8.768 3.028) 9.294 2.455 ( -6.109 -1.704 6.725) 9.244 2.616 ( 6.953 -2.002 -7.198) 10.206 2.714 ( 2.247 -0.036 -3.748) 4.370 2.804 ( 2.106 0.048 -5.953) 6.314 2.952 ( 0.312 -1.022 -3.156) 3.332 3.015 ( -0.467 -3.061 -3.785) 4.890 3.051 ( -5.572 -6.173 5.449) 9.942 3.234 ( -3.592 -1.819 -4.725) 6.208 3.493 ( -3.931 0.214 -2.451) 4.637 3.752 ( 3.658 3.139 11.001) 12.011 3.839 ( -0.054 0.050 0.059) 0.095 4.037 ( -1.332 0.204 3.991) 4.213 4.248 ( -3.438 0.030 -5.447) 6.441 4.374 ( -0.158 -2.703 0.320) 2.727 4.552 ( 8.487 1.243 3.460) 9.249 4.955 ( -0.435 -0.493 -2.654) 2.734 5.310 ( -3.345 2.796 -2.479) 5.015 5.730 ( 0.241 2.089 0.520) 2.166 5.853 ( -3.220 3.899 2.100) 5.475 5.917 ( -0.532 0.847 0.056) 1.002 6.066 ( -1.305 -2.379 0.963) 2.879 10.158 ( 0.699 0.138 0.141) 0.726 10.869 ( 0.518 0.050 -0.294) 0.598 11.006 ( 0.564 -0.413 0.050) 0.701 11.622 ( -0.150 -0.715 0.027) 0.731 14.587 ( 0.065 0.485 -0.360) 0.608 14.657 ( -0.000 0.541 -0.276) 0.607 33.820 ( 5.002 5.517 1.364) 7.571 34.512 ( 1.438 8.089 0.574) 8.236 ======================= Grid point 298 (143/168) ======================= q-point: ( 0.55 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( 5.745 0.967 -2.586) 6.374 1.503 ( 2.250 -1.195 1.987) 3.231 1.818 ( -2.778 -1.541 -0.063) 3.177 1.949 ( -1.837 -9.846 -8.022) 12.833 2.164 ( -1.524 -3.926 10.322) 11.148 2.333 ( -0.742 -8.111 3.150) 8.733 2.428 ( 3.127 -6.369 3.008) 7.707 2.493 ( -0.037 -3.061 4.435) 5.389 2.593 ( -3.591 1.254 -5.443) 6.640 2.823 ( 5.845 -8.904 -7.434) 12.988 2.828 ( -1.912 -1.695 -2.985) 3.930 2.893 ( 2.761 -3.590 -1.183) 4.681 3.033 ( -4.020 -1.202 6.650) 7.863 3.241 ( -0.391 -2.705 -3.428) 4.385 3.306 ( 2.928 -13.239 -6.623) 15.090 3.457 ( -3.735 -1.004 -0.612) 3.915 3.752 ( 4.740 5.279 10.943) 13.041 3.888 ( 0.414 -6.737 1.122) 6.842 4.019 ( -2.289 1.649 0.809) 2.935 4.210 ( -3.979 -2.006 -4.464) 6.308 4.406 ( 0.870 -0.153 -0.778) 1.177 4.591 ( 3.767 0.878 2.873) 4.818 4.962 ( 0.487 -1.265 -1.728) 2.197 5.220 ( -1.748 3.788 -1.285) 4.365 5.700 ( 1.119 2.005 0.996) 2.503 5.775 ( -1.749 3.069 0.707) 3.603 5.874 ( -0.753 3.318 -0.164) 3.407 6.069 ( -1.752 1.438 0.506) 2.323 10.159 ( 0.356 0.213 0.116) 0.431 10.869 ( 0.248 0.045 -0.344) 0.427 11.018 ( 0.321 -0.553 0.113) 0.649 11.638 ( -0.154 -1.086 0.046) 1.098 14.576 ( 0.149 0.719 -0.105) 0.742 14.646 ( 0.133 0.553 -0.191) 0.600 33.711 ( 2.370 9.650 1.480) 10.046 34.324 ( 1.010 12.883 -0.293) 12.926 ======================= Grid point 299 (144/168) ======================= q-point: (-0.36 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( 0.215 -1.698 -2.611) 3.122 1.527 ( -0.707 -0.685 0.117) 0.991 1.870 ( -1.413 -5.905 2.151) 6.441 2.051 ( -1.208 -6.555 -7.586) 10.098 2.298 ( 0.427 -5.355 10.459) 11.758 2.368 ( -1.897 4.581 1.279) 5.120 2.481 ( -2.534 4.236 -1.517) 5.164 2.515 ( 2.390 -2.796 6.610) 7.564 2.601 ( 0.135 -5.164 -4.870) 7.100 2.825 ( 0.461 -1.826 -6.756) 7.014 2.963 ( -0.741 -0.593 1.272) 1.587 3.081 ( 0.280 -14.959 -1.787) 15.068 3.111 ( 3.015 -4.381 1.971) 5.672 3.299 ( -3.641 -5.002 3.652) 7.185 3.443 ( -1.858 -3.646 -2.274) 4.681 3.460 ( 5.216 -0.297 -5.319) 7.456 3.728 ( 4.160 6.084 10.004) 12.426 3.967 ( -2.637 -1.944 -4.965) 5.948 4.120 ( -1.265 -12.262 1.499) 12.418 4.262 ( -0.396 -8.857 1.062) 8.929 4.400 ( -0.602 -1.101 -2.646) 2.929 4.595 ( 1.108 1.576 0.522) 1.996 4.988 ( 0.559 -1.466 -0.721) 1.727 5.147 ( -0.660 2.542 -0.131) 2.630 5.682 ( 0.801 1.164 1.156) 1.826 5.721 ( -1.023 2.049 -0.222) 2.301 5.788 ( 0.749 5.769 -0.169) 5.820 5.992 ( -0.588 5.973 0.067) 6.002 10.156 ( -0.041 0.359 0.085) 0.371 10.868 ( 0.020 0.021 -0.277) 0.278 11.030 ( 0.202 -0.434 0.011) 0.479 11.659 ( -0.034 -1.148 0.060) 1.150 14.563 ( 0.017 0.642 -0.052) 0.644 14.639 ( 0.150 0.280 -0.116) 0.338 33.532 ( 0.056 10.827 0.907) 10.865 34.072 ( -0.223 14.304 -0.281) 14.309 ======================= Grid point 300 (145/168) ======================= q-point: (-0.27 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 3.644 -6.173 -0.760) 7.208 1.540 ( -0.558 -1.753 -0.099) 1.842 2.004 ( -1.752 -6.297 4.092) 7.711 2.100 ( 1.335 -1.249 -5.763) 6.046 2.237 ( -6.519 5.053 4.924) 9.606 2.340 ( 1.329 4.016 -4.216) 5.972 2.501 ( 1.743 -6.202 7.885) 10.183 2.613 ( 2.705 -4.125 -4.036) 6.373 2.654 ( -2.999 -2.467 5.349) 6.610 2.823 ( 0.637 -1.135 -7.748) 7.856 2.953 ( -1.468 0.688 0.910) 1.859 3.130 ( -1.643 2.058 0.901) 2.784 3.279 ( -2.934 1.968 7.332) 8.139 3.383 ( 2.138 -9.491 -3.838) 10.459 3.393 ( 2.139 5.428 -0.194) 5.838 3.561 ( 1.823 -8.743 -5.488) 10.482 3.654 ( 1.289 5.671 0.238) 5.821 4.053 ( -0.214 -6.632 0.367) 6.645 4.213 ( -2.492 -1.917 1.595) 3.526 4.430 ( -0.771 -6.613 0.189) 6.661 4.540 ( -2.213 -6.841 -0.415) 7.202 4.585 ( 2.931 -6.842 -0.868) 7.494 5.008 ( -0.279 -0.633 -0.117) 0.702 5.123 ( -0.402 0.237 0.201) 0.508 5.649 ( 0.568 5.338 0.786) 5.425 5.681 ( -0.785 0.914 -1.390) 1.840 5.712 ( 2.769 1.701 0.615) 3.308 5.862 ( 0.593 7.250 0.341) 7.282 10.146 ( -0.296 0.570 0.041) 0.644 10.866 ( -0.062 0.065 -0.140) 0.166 11.037 ( 0.151 -0.193 -0.204) 0.319 11.679 ( 0.084 -0.947 0.061) 0.953 14.553 ( -0.057 0.367 0.007) 0.372 14.636 ( 0.023 0.051 -0.138) 0.149 33.347 ( -1.018 8.677 0.470) 8.749 33.815 ( -1.287 12.479 -0.108) 12.545 ======================= Grid point 301 (146/168) ======================= q-point: (-0.18 -0.64 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 8.291 -6.243 -1.068) 10.433 1.613 ( 3.906 -5.615 4.173) 8.013 1.931 ( -0.984 10.555 2.333) 10.854 2.123 ( -1.237 3.466 -1.696) 4.052 2.208 ( -1.416 -3.335 5.747) 6.794 2.286 ( -2.761 -2.136 -2.833) 4.496 2.599 ( -2.072 0.379 -4.164) 4.667 2.689 ( 0.034 -7.211 2.711) 7.704 2.745 ( -1.116 -4.957 7.497) 9.057 2.809 ( -0.433 -0.868 -7.885) 7.944 2.922 ( -1.717 1.691 -1.909) 3.074 3.019 ( 0.507 7.311 -0.381) 7.338 3.220 ( -3.173 3.779 5.878) 7.675 3.300 ( -0.272 3.425 0.451) 3.465 3.502 ( -0.576 -2.116 -6.016) 6.404 3.577 ( 2.741 -0.744 -6.479) 7.074 3.763 ( 2.607 -10.090 1.435) 10.519 4.056 ( 0.565 8.251 2.048) 8.520 4.204 ( -1.491 1.688 -0.079) 2.254 4.571 ( -0.378 -5.927 0.977) 6.019 4.587 ( -2.194 -6.407 0.800) 6.819 4.782 ( 2.507 -7.506 -0.521) 7.931 4.992 ( -2.171 2.861 0.030) 3.591 5.066 ( 1.236 6.572 -0.824) 6.738 5.553 ( 5.008 7.045 0.139) 8.645 5.707 ( -1.796 -6.057 0.162) 6.320 5.745 ( -0.360 -3.424 0.167) 3.447 5.776 ( -0.228 1.399 0.678) 1.571 10.132 ( -0.220 0.733 0.010) 0.765 10.863 ( 0.030 0.206 -0.013) 0.208 11.038 ( 0.135 0.061 -0.373) 0.401 11.694 ( 0.052 -0.544 0.057) 0.550 14.549 ( -0.040 0.128 0.058) 0.146 14.635 ( -0.081 -0.021 -0.232) 0.247 33.223 ( -0.754 4.018 0.502) 4.119 33.615 ( -0.709 7.934 -0.192) 7.968 ======================= Grid point 302 (147/168) ======================= q-point: (-0.09 0.36 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 6.039 -1.903 0.704) 6.371 1.704 ( 1.886 9.421 6.861) 11.806 1.865 ( 10.533 -4.256 3.101) 11.776 1.982 ( -1.814 8.681 2.224) 9.143 2.198 ( -1.627 4.510 -6.447) 8.035 2.365 ( -5.725 -7.702 4.583) 10.634 2.509 ( -2.147 4.207 -2.096) 5.167 2.730 ( -2.419 4.361 -1.262) 5.144 2.781 ( -1.090 -0.516 0.783) 1.437 2.886 ( -3.721 -5.332 -8.522) 10.719 2.893 ( -0.287 -7.342 2.864) 7.886 2.985 ( 4.247 -2.003 1.658) 4.980 3.162 ( -3.561 2.189 3.679) 5.568 3.259 ( -0.724 0.970 -2.989) 3.225 3.469 ( -3.938 -0.120 -0.209) 3.945 3.623 ( 3.071 -3.184 -9.597) 10.567 3.831 ( 2.315 16.023 0.024) 16.189 3.937 ( 2.993 -3.918 3.253) 5.907 4.116 ( -0.216 7.156 1.078) 7.240 4.612 ( -1.229 4.546 2.513) 5.338 4.664 ( -2.106 -4.064 0.841) 4.654 4.774 ( 3.389 12.896 -0.249) 13.336 4.921 ( 4.311 -0.165 -2.283) 4.881 5.040 ( -2.585 -5.010 0.129) 5.639 5.494 ( 4.799 2.638 0.253) 5.482 5.720 ( -0.076 0.694 0.246) 0.740 5.829 ( -1.922 -5.802 -0.895) 6.177 5.913 ( -5.815 -13.164 1.865) 14.511 10.118 ( 0.225 0.733 0.015) 0.767 10.859 ( 0.262 0.373 0.054) 0.459 11.033 ( 0.128 0.308 -0.417) 0.534 11.699 ( -0.161 -0.022 0.087) 0.184 14.548 ( 0.078 0.004 0.017) 0.080 14.634 ( -0.086 -0.079 -0.289) 0.312 33.200 ( 0.134 -1.442 0.450) 1.516 33.530 ( 2.289 1.479 -0.265) 2.738 ======================= Grid point 308 (148/168) ======================= q-point: ( 0.45 0.45 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 6.747 0.000 -3.642) 7.667 1.480 ( 1.228 0.000 3.819) 4.011 1.600 ( 8.628 0.000 -1.308) 8.727 1.871 ( -7.357 -0.000 -2.443) 7.752 2.040 ( -6.792 -0.000 3.738) 7.752 2.061 ( 5.532 0.000 6.892) 8.838 2.161 ( 1.981 0.000 0.160) 1.988 2.428 ( -6.572 -0.000 10.987) 12.803 2.637 ( 6.966 0.000 -3.753) 7.913 2.713 ( 0.416 0.000 -5.395) 5.411 2.800 ( 2.163 0.000 -11.103) 11.312 2.858 ( 4.713 0.000 -3.677) 5.978 2.999 ( -5.937 -0.000 7.340) 9.440 3.015 ( -2.348 -0.000 2.533) 3.454 3.173 ( -1.081 -0.000 -5.370) 5.477 3.429 ( -5.939 -0.000 -7.600) 9.645 3.834 ( -0.434 -0.000 -0.546) 0.697 3.864 ( 4.864 0.000 10.805) 11.849 4.047 ( -1.750 -0.000 4.147) 4.501 4.198 ( -3.714 -0.000 -5.876) 6.951 4.344 ( -0.125 -0.000 0.699) 0.710 4.645 ( 7.028 0.000 3.365) 7.792 4.937 ( 0.201 0.000 -2.675) 2.682 5.301 ( -2.804 -0.000 -2.167) 3.544 5.749 ( 0.086 0.000 0.254) 0.268 5.891 ( -3.044 -0.000 3.169) 4.395 5.926 ( 0.379 0.000 -0.027) 0.380 6.032 ( 0.251 0.000 -0.034) 0.253 10.163 ( 0.285 0.000 0.134) 0.315 10.871 ( 0.312 0.000 -0.272) 0.414 11.005 ( 0.330 0.000 -0.017) 0.330 11.615 ( -0.043 -0.000 0.012) 0.045 14.592 ( 0.290 0.000 -0.112) 0.311 14.661 ( -0.047 -0.000 -0.292) 0.296 33.912 ( 3.226 0.000 1.812) 3.700 34.592 ( -0.184 -0.000 0.061) 0.194 ======================= Grid point 309 (149/168) ======================= q-point: (-0.45 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( 0.894 3.441 -2.030) 4.094 1.500 ( -2.445 -0.814 3.847) 4.630 1.722 ( 2.270 -8.915 -5.628) 10.784 1.814 ( -1.722 1.393 -1.017) 2.438 2.082 ( -4.788 -6.498 8.952) 12.053 2.196 ( 2.084 -5.657 1.069) 6.122 2.269 ( 2.009 -11.609 2.805) 12.111 2.448 ( -4.964 -2.373 6.461) 8.486 2.612 ( -2.608 3.761 0.078) 4.577 2.713 ( 3.118 -1.876 -6.794) 7.707 2.790 ( 5.595 -2.261 -9.650) 11.381 2.928 ( -1.838 4.452 1.606) 5.077 2.999 ( -4.770 -9.394 2.101) 10.743 3.059 ( 4.068 -4.522 3.814) 7.180 3.184 ( 2.353 -2.558 -5.625) 6.612 3.376 ( -3.251 -2.017 -5.250) 6.496 3.838 ( 0.062 -0.702 0.016) 0.705 3.916 ( 5.241 2.711 8.941) 10.713 4.039 ( -2.673 1.272 2.981) 4.201 4.142 ( -3.301 0.131 -5.181) 6.145 4.374 ( -0.046 -2.483 0.075) 2.485 4.669 ( 2.461 2.327 1.595) 3.744 4.938 ( 0.874 -0.807 -2.130) 2.440 5.258 ( -1.583 2.102 -0.911) 2.785 5.738 ( -0.531 1.275 0.749) 1.571 5.842 ( 0.553 4.162 1.137) 4.350 5.915 ( 0.291 1.401 -0.141) 1.438 6.060 ( -0.093 -1.642 0.381) 1.688 10.164 ( -0.109 0.103 0.141) 0.206 10.870 ( 0.095 0.098 -0.273) 0.305 11.011 ( 0.062 -0.447 -0.000) 0.451 11.621 ( -0.014 -0.669 0.022) 0.669 14.589 ( 0.141 0.526 -0.064) 0.549 14.656 ( 0.189 0.445 -0.295) 0.567 33.876 ( 0.346 5.931 1.331) 6.089 34.517 ( -0.456 7.637 -0.046) 7.651 ======================= Grid point 310 (150/168) ======================= q-point: (-0.36 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -4.004 1.454 -2.115) 4.755 1.507 ( -3.999 -0.965 2.801) 4.977 1.810 ( 2.332 -1.204 1.541) 3.043 1.876 ( -0.341 -8.548 -4.214) 9.537 2.228 ( -3.055 -6.471 12.365) 14.286 2.341 ( -0.748 -8.989 -3.853) 9.809 2.475 ( -2.180 -2.062 -1.274) 3.260 2.506 ( 2.055 -7.067 1.611) 7.534 2.516 ( -4.122 3.510 2.974) 6.177 2.787 ( 0.077 -10.751 -4.701) 11.734 2.834 ( 4.089 2.302 -3.716) 5.986 2.909 ( 1.342 -5.262 -3.209) 6.307 3.094 ( 2.560 -3.074 8.571) 9.459 3.154 ( -6.850 -5.172 -1.239) 8.672 3.291 ( 1.452 -6.715 -6.061) 9.161 3.451 ( 4.130 -5.944 -0.217) 7.241 3.872 ( -1.010 -3.105 2.028) 3.844 3.931 ( 4.159 2.127 4.829) 6.719 3.961 ( -2.273 3.125 -3.798) 5.418 4.150 ( -1.495 -3.878 1.516) 4.424 4.403 ( -0.124 -0.005 -0.775) 0.784 4.629 ( -0.680 1.852 -0.591) 2.060 4.959 ( 0.789 -1.472 -1.336) 2.139 5.199 ( -0.568 3.249 0.521) 3.339 5.707 ( -1.061 1.472 0.396) 1.857 5.778 ( 1.458 3.811 0.366) 4.097 5.878 ( 1.670 3.249 -0.509) 3.688 6.069 ( 1.402 1.723 0.532) 2.284 10.159 ( -0.505 0.198 0.124) 0.556 10.867 ( -0.121 0.078 -0.201) 0.247 11.021 ( -0.045 -0.616 -0.088) 0.624 11.638 ( 0.105 -1.088 0.046) 1.094 14.576 ( -0.089 0.754 -0.112) 0.767 14.646 ( 0.188 0.535 -0.254) 0.621 33.724 ( -2.162 9.847 0.436) 10.091 34.318 ( -1.510 12.882 0.216) 12.972 ======================= Grid point 311 (151/168) ======================= q-point: (-0.27 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( -0.307 -5.207 -0.534) 5.243 1.512 ( -1.940 -1.387 1.533) 2.836 1.902 ( 1.129 -5.249 5.095) 7.402 1.986 ( -2.449 -6.412 -2.549) 7.322 2.315 ( -4.827 4.334 3.874) 7.556 2.369 ( -0.041 -2.471 -2.300) 3.376 2.467 ( 0.367 -0.515 3.042) 3.106 2.550 ( -0.139 -3.716 -3.687) 5.237 2.606 ( 2.167 -3.691 4.239) 6.024 2.803 ( 2.432 1.206 -2.495) 3.687 2.953 ( -1.127 -1.552 -0.018) 1.918 3.024 ( -4.330 -11.876 -2.210) 12.832 3.186 ( 4.846 -4.952 -0.461) 6.944 3.306 ( -1.850 -8.665 5.797) 10.588 3.359 ( -4.268 -6.200 -3.392) 8.256 3.493 ( 3.428 3.543 -3.658) 6.139 3.779 ( -1.121 6.850 -5.487) 8.848 3.959 ( 3.435 -2.180 3.809) 5.573 4.106 ( -2.590 -12.085 1.724) 12.479 4.262 ( -0.965 -9.068 0.616) 9.140 4.372 ( -1.921 -0.151 0.858) 2.110 4.610 ( 1.739 0.620 -1.336) 2.279 4.983 ( -0.308 -1.296 -0.874) 1.593 5.144 ( -0.267 2.489 0.913) 2.665 5.676 ( -1.095 0.990 -0.950) 1.756 5.728 ( 1.019 3.124 1.400) 3.572 5.818 ( 3.381 4.758 -1.227) 5.964 6.017 ( 3.725 6.241 0.932) 7.328 10.150 ( -0.784 0.295 0.074) 0.841 10.865 ( -0.229 -0.020 -0.063) 0.238 11.030 ( -0.029 -0.483 -0.306) 0.573 11.661 ( 0.282 -1.142 0.061) 1.178 14.562 ( -0.144 0.607 -0.043) 0.625 14.638 ( -0.059 0.305 -0.243) 0.395 33.513 ( -3.168 10.354 -0.034) 10.828 34.046 ( -3.278 14.280 0.345) 14.655 ======================= Grid point 312 (152/168) ======================= q-point: (-0.18 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 9.108 -10.949 1.596) 14.331 1.558 ( 1.529 -3.236 2.901) 4.607 2.024 ( -2.969 -3.445 8.977) 10.064 2.064 ( 0.006 -5.358 -6.443) 8.380 2.176 ( -7.432 5.039 4.471) 10.031 2.324 ( 0.335 4.453 -2.669) 5.202 2.536 ( -2.653 -3.359 -5.397) 6.888 2.601 ( 3.984 -3.066 2.966) 5.837 2.680 ( 0.802 -2.914 -1.370) 3.318 2.805 ( 0.198 0.541 4.012) 4.053 2.938 ( -1.399 1.850 0.934) 2.500 3.093 ( -3.720 -0.147 -0.609) 3.772 3.267 ( -3.978 1.880 1.361) 4.605 3.385 ( 4.210 -4.695 -5.993) 8.699 3.403 ( 0.253 6.309 -0.699) 6.353 3.536 ( -0.950 -14.892 -2.199) 15.084 3.638 ( 0.843 5.125 -5.570) 7.616 4.088 ( 1.196 -5.887 2.589) 6.541 4.194 ( -3.479 0.134 3.053) 4.630 4.375 ( -2.827 -9.542 -1.854) 10.123 4.547 ( 0.431 -8.838 3.212) 9.414 4.621 ( 2.352 -3.977 -0.377) 4.636 4.995 ( -1.127 -0.947 -0.510) 1.558 5.110 ( -1.037 1.375 -0.420) 1.773 5.640 ( -1.940 0.911 -1.036) 2.381 5.693 ( 2.507 2.780 1.638) 4.086 5.757 ( 3.356 3.338 -1.642) 5.010 5.910 ( 5.017 9.164 1.632) 10.574 10.139 ( -0.753 0.357 0.021) 0.834 10.864 ( -0.169 -0.051 0.053) 0.184 11.035 ( 0.029 -0.241 -0.483) 0.541 11.682 ( 0.323 -0.847 0.054) 0.908 14.552 ( -0.129 0.308 0.055) 0.338 14.633 ( -0.171 0.054 -0.271) 0.325 33.323 ( -2.567 7.587 0.156) 8.011 33.778 ( -3.735 11.520 0.132) 12.111 ======================= Grid point 313 (153/168) ======================= q-point: (-0.09 -0.55 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 10.874 -2.354 1.374) 11.210 1.757 ( 7.470 -11.571 6.193) 15.101 1.958 ( -1.173 8.470 6.037) 10.467 2.079 ( -0.894 2.389 -3.482) 4.317 2.177 ( -10.686 -7.507 5.821) 14.298 2.256 ( 2.331 2.798 -2.892) 4.650 2.510 ( -3.650 -0.070 -3.141) 4.816 2.695 ( 1.501 -3.171 -0.884) 3.618 2.716 ( -0.859 -2.069 -8.673) 8.958 2.808 ( -5.397 1.065 3.554) 6.549 2.890 ( 0.923 1.079 5.531) 5.710 3.037 ( 3.359 3.387 -1.182) 4.915 3.180 ( -6.390 2.001 0.032) 6.696 3.283 ( -1.534 4.731 -0.855) 5.047 3.438 ( 0.626 -0.463 -6.550) 6.597 3.572 ( 3.196 -0.288 -5.010) 5.949 3.812 ( 1.981 -12.920 1.284) 13.134 4.082 ( -1.125 9.099 2.087) 9.403 4.175 ( -1.498 -1.022 -0.230) 1.828 4.563 ( -0.267 -8.583 1.215) 8.673 4.597 ( 0.917 -1.477 1.614) 2.372 4.807 ( -0.138 -9.561 0.957) 9.609 4.970 ( -0.166 4.778 0.037) 4.781 5.051 ( -1.208 2.900 -2.537) 4.038 5.639 ( 3.047 2.001 0.560) 3.688 5.673 ( -0.662 -1.883 0.192) 2.005 5.739 ( 0.009 -0.312 -0.581) 0.659 5.801 ( 2.489 4.740 1.616) 5.592 10.128 ( -0.335 0.339 0.003) 0.477 10.864 ( 0.027 0.035 0.090) 0.100 11.035 ( 0.087 0.008 -0.500) 0.508 11.696 ( 0.140 -0.354 0.058) 0.385 14.549 ( -0.063 0.060 0.086) 0.122 14.630 ( -0.146 -0.039 -0.322) 0.356 33.214 ( -1.084 2.848 0.533) 3.093 33.596 ( -1.653 5.613 -0.234) 5.856 ======================= Grid point 320 (154/168) ======================= q-point: (-0.45 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( -7.632 -0.000 -1.413) 7.762 1.480 ( -5.824 -0.000 5.262) 7.849 1.621 ( 0.774 0.000 -4.955) 5.015 1.841 ( 5.030 0.000 0.777) 5.090 2.021 ( -3.022 -0.000 6.729) 7.376 2.138 ( 0.681 0.000 -0.540) 0.869 2.171 ( -1.787 -0.000 -1.669) 2.445 2.410 ( -10.340 -0.000 10.530) 14.758 2.631 ( -2.348 -0.000 -0.561) 2.414 2.714 ( 2.977 0.000 -1.739) 3.447 2.765 ( 6.947 0.000 -13.590) 15.262 2.798 ( -9.764 -0.000 1.947) 9.956 3.047 ( 4.568 0.000 4.980) 6.758 3.067 ( 4.457 0.000 2.363) 5.045 3.156 ( 4.533 0.000 -6.232) 7.706 3.329 ( 1.644 0.000 -1.416) 2.169 3.831 ( 0.557 0.000 -0.285) 0.626 3.994 ( 1.876 0.000 1.929) 2.691 4.048 ( -2.318 -0.000 4.191) 4.789 4.116 ( -0.774 -0.000 -1.438) 1.633 4.347 ( -0.085 -0.000 0.404) 0.413 4.693 ( -2.622 -0.000 -1.122) 2.852 4.931 ( 1.621 0.000 -2.058) 2.619 5.269 ( -0.419 -0.000 0.560) 0.700 5.745 ( -1.528 -0.000 0.933) 1.791 5.921 ( 5.157 0.000 0.325) 5.168 5.925 ( -0.411 -0.000 0.005) 0.411 6.032 ( -0.245 -0.000 -0.017) 0.245 10.163 ( -0.538 -0.000 0.183) 0.569 10.871 ( -0.053 -0.000 -0.233) 0.239 11.005 ( -0.289 -0.000 -0.028) 0.290 11.615 ( 0.029 0.000 0.012) 0.032 14.593 ( -0.161 -0.000 -0.191) 0.250 14.661 ( 0.509 0.000 -0.348) 0.617 33.927 ( -2.835 -0.000 0.429) 2.868 34.587 ( -0.320 -0.000 0.473) 0.571 ======================= Grid point 321 (155/168) ======================= q-point: (-0.36 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -11.178 2.279 -1.239) 11.475 1.452 ( -9.286 -1.145 3.470) 9.979 1.703 ( 1.487 -8.759 -2.858) 9.333 1.864 ( 5.447 2.269 2.027) 6.239 2.109 ( -3.708 -7.612 8.080) 11.704 2.160 ( -5.535 -4.522 -2.361) 7.528 2.272 ( -1.580 -13.255 -2.883) 13.657 2.403 ( -5.683 -3.282 5.708) 8.698 2.586 ( -0.888 3.603 0.099) 3.712 2.704 ( -0.562 0.147 1.469) 1.580 2.779 ( 4.208 -2.950 -9.845) 11.106 2.873 ( -7.359 -9.176 3.755) 12.347 3.016 ( 4.770 3.913 -0.107) 6.170 3.146 ( 3.816 -0.647 1.144) 4.036 3.202 ( 6.462 -3.476 -4.987) 8.872 3.398 ( 6.365 -3.211 4.007) 8.178 3.838 ( 0.024 -0.170 -0.100) 0.199 3.956 ( -1.647 2.477 -7.567) 8.131 4.044 ( -1.558 0.767 3.615) 4.011 4.126 ( 2.682 0.294 5.911) 6.498 4.376 ( 0.191 -2.314 0.026) 2.322 4.629 ( -6.409 1.418 -3.561) 7.468 4.943 ( 1.869 -0.641 -1.431) 2.440 5.255 ( 0.390 2.206 2.245) 3.171 5.728 ( -0.536 1.250 0.714) 1.536 5.873 ( 1.335 4.625 0.039) 4.814 5.931 ( 2.749 1.670 -1.079) 3.393 6.076 ( 2.317 -2.481 0.144) 3.398 10.157 ( -0.917 0.111 0.200) 0.945 10.867 ( -0.248 0.128 -0.179) 0.332 11.007 ( -0.443 -0.548 -0.097) 0.712 11.622 ( 0.130 -0.717 0.025) 0.730 14.585 ( -0.321 0.479 -0.224) 0.618 14.658 ( 0.409 0.564 -0.370) 0.789 33.842 ( -5.539 5.642 -0.496) 7.922 34.510 ( -0.978 8.316 0.779) 8.409 ======================= Grid point 322 (156/168) ======================= q-point: (-0.27 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( -8.931 -3.061 -1.271) 9.526 1.442 ( -7.495 -3.831 2.158) 8.689 1.847 ( 0.012 -5.501 -1.342) 5.663 1.889 ( 0.543 -1.041 5.688) 5.808 2.210 ( -7.896 -10.218 -6.615) 14.509 2.307 ( 0.583 -6.914 10.219) 12.352 2.447 ( 1.506 -5.089 -3.288) 6.243 2.503 ( -1.702 2.522 4.303) 5.271 2.532 ( -0.977 -8.979 -1.389) 9.138 2.746 ( -1.206 -5.289 0.915) 5.502 2.857 ( 0.442 -7.027 -4.780) 8.510 2.920 ( 4.909 3.227 -0.570) 5.902 3.056 ( -6.404 -7.915 2.854) 10.574 3.200 ( 3.676 -1.773 1.368) 4.304 3.288 ( 3.386 -3.492 -0.074) 4.864 3.524 ( 4.419 -2.227 -0.672) 4.994 3.823 ( -1.364 2.845 -7.056) 7.730 3.883 ( -1.238 -4.752 -3.223) 5.874 4.022 ( 0.045 2.399 3.464) 4.214 4.197 ( 2.106 -2.442 6.098) 6.899 4.372 ( -4.056 1.707 -0.868) 4.486 4.587 ( -0.651 -2.633 -3.075) 4.100 4.962 ( 0.944 -0.653 -0.818) 1.409 5.211 ( 0.130 3.826 2.864) 4.781 5.697 ( -0.033 2.042 -0.638) 2.140 5.803 ( 1.411 3.794 0.657) 4.101 5.905 ( 2.562 2.804 -1.106) 3.956 6.123 ( 5.467 0.979 -0.010) 5.554 10.147 ( -1.230 0.185 0.145) 1.252 10.862 ( -0.434 0.042 -0.054) 0.439 11.016 ( -0.320 -0.737 -0.340) 0.872 11.642 ( 0.401 -1.169 0.043) 1.236 14.572 ( -0.251 0.655 -0.041) 0.702 14.645 ( -0.048 0.681 -0.301) 0.746 33.657 ( -6.430 8.772 -0.697) 10.899 34.284 ( -4.001 14.016 0.670) 14.591 ======================= Grid point 323 (157/168) ======================= q-point: (-0.18 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -0.844 -13.426 1.109) 13.499 1.512 ( 0.241 -5.437 2.477) 5.980 1.917 ( -3.416 -5.375 -3.498) 7.265 1.947 ( -5.061 -4.061 8.442) 10.647 2.238 ( -5.070 1.075 -8.325) 9.806 2.356 ( 1.131 2.770 4.496) 5.401 2.496 ( 1.481 -0.867 0.521) 1.793 2.579 ( 0.765 -4.661 6.876) 8.342 2.629 ( 2.700 -3.262 -6.054) 7.388 2.853 ( -0.322 -1.404 8.261) 8.386 2.942 ( 0.208 -2.912 -0.550) 2.971 2.956 ( -0.639 -6.725 -2.217) 7.110 3.178 ( -5.826 -11.766 -5.426) 14.207 3.269 ( 0.468 -2.900 2.418) 3.804 3.380 ( 2.324 -1.561 1.693) 3.272 3.492 ( 0.604 3.670 -2.488) 4.475 3.708 ( 1.672 4.690 -9.729) 10.929 4.014 ( -2.307 -3.316 2.711) 4.865 4.053 ( -3.228 -10.055 -3.336) 11.075 4.250 ( -2.198 -3.716 1.509) 4.574 4.373 ( -0.988 -5.043 5.860) 7.794 4.638 ( 4.232 -1.175 -1.914) 4.791 4.969 ( -0.595 -0.312 -0.560) 0.874 5.152 ( -0.205 3.436 1.943) 3.953 5.649 ( -1.136 2.052 -1.922) 3.032 5.763 ( 1.829 2.602 1.345) 3.453 5.856 ( 3.216 4.412 -0.487) 5.481 6.111 ( 8.109 5.818 -0.056) 9.981 10.135 ( -1.304 0.132 0.050) 1.312 10.860 ( -0.446 -0.156 0.052) 0.475 11.025 ( -0.120 -0.584 -0.573) 0.827 11.668 ( 0.610 -1.104 0.020) 1.261 14.559 ( -0.243 0.539 0.079) 0.597 14.634 ( -0.156 0.340 -0.137) 0.398 33.446 ( -5.381 8.602 -0.176) 10.148 33.979 ( -6.594 14.201 0.402) 15.663 ======================= Grid point 324 (158/168) ======================= q-point: (-0.09 -0.45 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 5.523 -18.372 3.172) 19.444 1.646 ( 7.171 -4.278 3.055) 8.891 1.977 ( -4.437 -5.986 -3.536) 8.248 2.023 ( -9.414 -4.858 2.976) 11.003 2.092 ( -5.058 4.538 -2.214) 7.147 2.313 ( 0.905 4.194 2.736) 5.088 2.495 ( 0.173 1.354 2.303) 2.677 2.664 ( 2.211 -1.375 -6.019) 6.558 2.683 ( 3.264 -2.362 1.915) 4.461 2.840 ( -4.257 4.527 5.607) 8.370 2.949 ( 1.641 1.590 3.712) 4.359 3.040 ( -0.450 -3.430 -1.471) 3.760 3.213 ( -2.650 6.175 -1.606) 6.909 3.357 ( 2.548 -2.122 -10.999) 11.488 3.416 ( -2.278 1.844 4.448) 5.327 3.508 ( -0.282 -15.776 -0.710) 15.794 3.609 ( 1.740 3.103 -5.366) 6.438 4.100 ( -0.899 -4.383 0.438) 4.496 4.119 ( -6.064 -4.116 -3.934) 8.318 4.388 ( 1.155 -8.828 5.744) 10.595 4.566 ( -2.511 -12.955 3.358) 13.617 4.657 ( 3.619 1.258 -0.564) 3.873 4.968 ( -1.741 -1.062 -0.867) 2.216 5.097 ( -0.143 3.385 0.082) 3.389 5.596 ( -2.737 1.019 -1.464) 3.267 5.740 ( 1.335 1.688 1.037) 2.389 5.793 ( 3.457 4.719 0.097) 5.850 6.024 ( 8.943 10.370 -0.101) 13.694 10.126 ( -0.969 -0.028 -0.009) 0.969 10.861 ( -0.291 -0.248 0.061) 0.388 11.030 ( 0.042 -0.339 -0.604) 0.694 11.689 ( 0.507 -0.656 -0.012) 0.830 14.551 ( -0.219 0.222 0.117) 0.333 14.629 ( -0.041 0.112 -0.105) 0.159 33.282 ( -3.169 5.696 0.513) 6.539 33.708 ( -5.952 9.618 0.016) 11.311 ======================= Grid point 332 (159/168) ======================= q-point: (-0.36 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.108 ( -14.919 -0.000 1.890) 15.038 1.350 ( -16.216 -0.000 -2.338) 16.384 1.598 ( 0.704 0.000 -3.154) 3.232 1.979 ( 8.926 0.000 2.013) 9.150 2.029 ( -9.328 -0.000 8.603) 12.690 2.060 ( -7.898 -0.000 2.536) 8.295 2.073 ( -3.368 -0.000 -7.049) 7.812 2.366 ( -3.315 -0.000 6.875) 7.633 2.618 ( 1.671 0.000 -2.063) 2.655 2.676 ( -10.292 -0.000 5.024) 11.453 2.739 ( 3.475 0.000 -4.280) 5.513 2.786 ( 4.948 0.000 0.960) 5.040 3.129 ( 6.679 0.000 -5.240) 8.490 3.147 ( 2.795 0.000 1.394) 3.123 3.203 ( 8.980 0.000 -2.934) 9.447 3.453 ( 7.523 0.000 6.536) 9.966 3.845 ( 1.534 0.000 -0.088) 1.537 3.935 ( -1.171 -0.000 -10.074) 10.142 4.033 ( -3.727 -0.000 3.912) 5.404 4.188 ( 3.477 0.000 6.146) 7.062 4.348 ( -0.100 -0.000 0.066) 0.119 4.555 ( -11.160 -0.000 -5.508) 12.445 4.949 ( 2.695 0.000 -1.022) 2.882 5.298 ( 1.449 0.000 4.243) 4.484 5.750 ( 1.731 0.000 1.252) 2.136 5.914 ( -1.083 -0.000 0.039) 1.083 6.009 ( 7.239 0.000 -3.279) 7.947 6.025 ( -0.678 -0.000 0.003) 0.678 10.152 ( -1.176 -0.000 0.285) 1.209 10.866 ( -0.354 -0.000 -0.236) 0.425 10.996 ( -0.807 -0.000 -0.040) 0.808 11.616 ( 0.091 0.000 0.012) 0.092 14.587 ( -0.317 -0.000 -0.087) 0.328 14.665 ( 0.314 0.000 -0.489) 0.581 33.838 ( -8.477 -0.000 -1.027) 8.539 34.592 ( 0.055 0.000 0.520) 0.523 ======================= Grid point 333 (160/168) ======================= q-point: (-0.27 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -15.872 1.358 -0.476) 15.937 1.266 ( -16.304 -6.796 -1.875) 17.763 1.707 ( 2.088 -10.741 -3.806) 11.585 1.908 ( -2.688 2.486 -1.628) 4.007 1.968 ( -17.421 -2.256 11.012) 20.732 2.154 ( -0.989 -10.743 -3.187) 11.249 2.259 ( 3.545 -12.575 3.404) 13.501 2.403 ( -0.304 -2.792 1.758) 3.313 2.590 ( 2.090 3.429 0.253) 4.024 2.687 ( -5.926 -4.121 5.036) 8.801 2.768 ( 3.626 -1.321 -4.819) 6.174 2.865 ( 0.856 -5.005 6.592) 8.321 3.092 ( 6.756 5.580 -2.715) 9.174 3.192 ( 4.004 -1.946 -2.229) 4.978 3.278 ( 6.578 -1.374 -0.909) 6.781 3.528 ( 4.084 -0.786 2.546) 4.876 3.837 ( 0.074 1.943 -0.931) 2.155 3.855 ( 0.370 2.333 -10.397) 10.662 4.035 ( -2.409 -0.700 2.668) 3.662 4.225 ( 0.620 0.591 4.667) 4.745 4.356 ( -3.961 0.276 -0.214) 3.976 4.483 ( -4.261 -4.610 -3.834) 7.356 4.967 ( 2.499 0.009 -0.376) 2.527 5.303 ( 1.637 3.257 5.722) 6.784 5.745 ( 1.691 2.825 -0.481) 3.328 5.884 ( 0.612 2.909 1.390) 3.281 5.953 ( 1.786 2.186 -2.190) 3.573 6.126 ( 5.031 -4.255 -2.376) 7.004 10.142 ( -1.402 0.199 0.264) 1.440 10.860 ( -0.575 0.130 -0.203) 0.623 10.997 ( -0.733 -0.703 -0.202) 1.035 11.626 ( 0.297 -0.889 0.012) 0.938 14.581 ( -0.139 0.458 0.306) 0.568 14.657 ( -0.149 0.679 -0.379) 0.792 33.721 ( -9.457 4.725 -0.586) 10.588 34.491 ( -2.535 10.322 -0.386) 10.635 ======================= Grid point 334 (161/168) ======================= q-point: (-0.18 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -10.422 -10.531 -0.507) 14.825 1.352 ( -6.554 -10.879 2.647) 12.974 1.818 ( -2.616 -1.743 -1.259) 3.386 1.880 ( -5.683 -1.970 0.440) 6.031 2.051 ( -8.522 -12.224 -0.725) 14.919 2.361 ( -3.170 -12.740 -1.549) 13.220 2.439 ( -0.284 -3.651 -4.094) 5.492 2.500 ( -0.801 -6.978 6.593) 9.633 2.562 ( 3.865 1.288 5.701) 7.007 2.765 ( -0.814 -4.119 4.244) 5.970 2.825 ( 1.938 -6.229 -3.926) 7.614 2.983 ( -0.484 -2.287 5.928) 6.372 3.027 ( 2.515 2.877 -1.012) 3.953 3.258 ( 3.788 -2.288 1.801) 4.778 3.355 ( 4.371 -3.444 -0.736) 5.613 3.526 ( -0.677 1.906 -5.322) 5.694 3.758 ( 1.303 3.838 -7.774) 8.767 3.838 ( -1.668 -3.862 -4.541) 6.190 4.027 ( -1.647 0.807 2.037) 2.741 4.172 ( -8.945 0.110 -1.368) 9.050 4.361 ( 1.219 -1.251 6.546) 6.775 4.594 ( 4.361 -5.939 -3.063) 7.979 4.975 ( 1.292 0.705 0.266) 1.496 5.251 ( 0.810 5.571 5.345) 7.763 5.677 ( -1.290 2.968 -2.965) 4.389 5.841 ( 2.454 3.764 1.088) 4.623 5.938 ( 2.780 1.788 0.876) 3.420 6.215 ( 8.494 -0.859 -2.848) 9.000 10.127 ( -1.629 0.211 0.123) 1.647 10.853 ( -0.715 -0.076 -0.068) 0.722 11.007 ( -0.323 -0.894 -0.540) 1.094 11.651 ( 0.741 -1.308 -0.053) 1.504 14.569 ( -0.329 0.762 0.309) 0.886 14.642 ( -0.105 0.619 0.130) 0.641 33.543 ( -8.129 7.032 0.524) 10.761 34.200 ( -8.028 15.516 -0.525) 17.478 ======================= Grid point 335 (162/168) ======================= q-point: (-0.09 -0.36 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -0.827 -20.517 2.414) 20.675 1.561 ( 1.451 -11.150 4.744) 12.204 1.830 ( -3.115 -4.251 -6.194) 8.133 1.884 ( -8.739 -3.474 3.460) 10.020 2.058 ( -7.776 1.468 -9.030) 12.007 2.443 ( 2.711 2.974 1.569) 4.320 2.511 ( -2.580 -4.246 5.330) 7.287 2.619 ( 3.829 -2.206 -0.797) 4.491 2.660 ( 0.580 -4.245 5.033) 6.610 2.886 ( -2.231 -3.910 6.372) 7.802 2.954 ( 0.302 -8.602 0.967) 8.661 3.005 ( 5.299 0.994 2.238) 5.837 3.045 ( -5.114 -8.491 -2.188) 10.151 3.296 ( -0.216 3.692 0.274) 3.709 3.396 ( 4.392 -0.126 -7.309) 8.528 3.501 ( 0.017 -0.125 3.801) 3.803 3.652 ( 0.547 3.608 -8.346) 9.108 3.884 ( -6.673 -8.197 -9.517) 14.223 4.035 ( -0.597 -2.089 0.451) 2.219 4.218 ( -4.995 -10.931 4.194) 12.729 4.427 ( 0.153 -2.341 5.576) 6.049 4.692 ( 5.141 -1.859 -2.530) 6.024 4.962 ( -0.141 1.289 0.368) 1.348 5.177 ( 0.615 4.816 3.447) 5.955 5.606 ( -2.147 2.314 -2.346) 3.932 5.792 ( 1.550 3.144 -0.689) 3.573 5.915 ( 3.324 4.262 3.008) 6.186 6.237 ( 10.301 5.090 -2.952) 11.863 10.115 ( -1.477 -0.118 0.004) 1.482 10.852 ( -0.600 -0.354 -0.037) 0.698 11.018 ( 0.003 -0.708 -0.661) 0.969 11.678 ( 0.830 -0.999 -0.151) 1.307 14.555 ( -0.469 0.485 0.130) 0.687 14.634 ( 0.168 0.410 0.309) 0.540 33.370 ( -5.241 6.612 1.460) 8.563 33.859 ( -9.740 13.077 -0.243) 16.308 ======================= Grid point 344 (163/168) ======================= q-point: (-0.27 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -16.230 -0.000 7.819) 18.015 0.949 ( -27.487 -0.000 -13.179) 30.483 1.581 ( -1.545 -0.000 0.729) 1.709 1.872 ( -7.081 -0.000 -13.140) 14.926 1.886 ( -16.387 -0.000 11.495) 20.016 2.048 ( -4.830 -0.000 6.658) 8.226 2.175 ( 9.204 0.000 4.560) 10.272 2.384 ( 0.019 0.000 -2.480) 2.480 2.581 ( -8.858 -0.000 4.657) 10.008 2.664 ( 5.596 0.000 1.802) 5.879 2.769 ( 4.878 0.000 -2.818) 5.634 2.905 ( 5.354 0.000 7.847) 9.499 3.184 ( 5.027 0.000 -3.945) 6.390 3.190 ( 7.551 0.000 -4.922) 9.013 3.322 ( 6.036 0.000 2.646) 6.590 3.543 ( 0.557 0.000 -2.793) 2.848 3.840 ( 1.464 0.000 -11.877) 11.967 3.874 ( 2.304 0.000 0.058) 2.305 4.015 ( -2.753 -0.000 2.661) 3.828 4.221 ( -7.993 -0.000 -1.065) 8.063 4.344 ( -0.259 -0.000 -0.270) 0.374 4.378 ( -3.652 -0.000 2.850) 4.632 4.990 ( 3.273 0.000 0.183) 3.279 5.392 ( 4.660 0.000 8.913) 10.058 5.812 ( 4.780 0.000 -0.030) 4.780 5.896 ( -1.441 -0.000 0.052) 1.441 6.013 ( -0.937 -0.000 0.002) 0.937 6.049 ( 3.941 0.000 -6.696) 7.770 10.136 ( -1.294 -0.000 0.280) 1.324 10.855 ( -0.705 -0.000 -0.436) 0.829 10.982 ( -1.050 -0.000 -0.037) 1.050 11.618 ( 0.119 0.000 0.005) 0.119 14.589 ( 0.119 0.000 0.961) 0.968 14.660 ( -0.349 -0.000 -0.236) 0.421 33.690 ( -10.579 -0.000 0.860) 10.614 34.577 ( -1.422 -0.000 -3.256) 3.553 ======================= Grid point 345 (164/168) ======================= q-point: (-0.18 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.678 ( -20.975 -4.036 -3.568) 21.656 1.043 ( -13.131 -15.798 4.949) 21.130 1.689 ( -1.304 -11.896 -1.566) 12.070 1.791 ( -5.761 -0.688 -7.289) 9.316 1.828 ( -15.473 -2.327 10.819) 19.023 2.094 ( -5.490 -8.449 2.131) 10.299 2.329 ( -0.837 -2.609 -5.407) 6.061 2.399 ( 2.491 -7.468 3.867) 8.771 2.599 ( -3.906 -4.506 0.484) 5.983 2.711 ( 3.579 -0.343 6.012) 7.005 2.801 ( 4.195 -0.597 -1.678) 4.558 2.970 ( 4.039 -0.285 7.329) 8.373 3.161 ( 5.092 5.877 -1.111) 7.855 3.243 ( 5.603 -3.140 -1.996) 6.726 3.356 ( 3.407 0.833 1.223) 3.714 3.507 ( -2.458 0.408 -9.058) 9.395 3.781 ( 2.033 1.004 -13.114) 13.309 3.830 ( -0.984 4.829 -1.466) 5.141 4.022 ( -1.616 -0.914 0.953) 2.087 4.120 ( -10.170 1.753 2.063) 10.524 4.378 ( 1.193 -1.064 5.440) 5.670 4.466 ( 2.321 -8.494 -2.362) 9.116 5.009 ( 2.871 0.793 0.747) 3.071 5.419 ( 5.592 6.449 10.245) 13.335 5.715 ( -3.268 5.415 -5.332) 8.272 5.939 ( 1.889 4.211 0.739) 4.675 5.965 ( 3.625 -2.205 2.389) 4.869 6.166 ( 5.252 -7.997 -5.780) 11.178 10.122 ( -1.470 0.448 0.098) 1.540 10.846 ( -0.927 0.045 -0.343) 0.989 10.984 ( -0.671 -0.923 -0.311) 1.182 11.631 ( 0.492 -1.212 -0.100) 1.312 14.585 ( -0.410 0.873 0.737) 1.214 14.654 ( 0.058 0.482 0.655) 0.816 33.588 ( -8.977 3.852 3.076) 10.242 34.406 ( -7.091 13.036 -4.245) 15.435 ======================= Grid point 346 (165/168) ======================= q-point: (-0.09 -0.27 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -5.253 -19.482 3.584) 20.493 1.309 ( -5.292 -16.623 7.052) 18.816 1.735 ( -5.934 -1.006 -5.354) 8.056 1.786 ( -2.247 -2.561 -4.204) 5.411 1.950 ( -6.178 -8.909 3.004) 11.250 2.264 ( -7.295 -12.689 0.070) 14.637 2.344 ( -7.202 -11.376 -0.983) 13.500 2.568 ( 0.600 -4.168 5.013) 6.547 2.655 ( 3.896 -1.619 -0.902) 4.315 2.803 ( 0.089 -1.173 7.682) 7.772 2.850 ( 3.371 -6.083 -1.238) 7.064 3.031 ( -0.416 -0.555 6.580) 6.617 3.089 ( 4.213 4.727 2.087) 6.666 3.336 ( 3.229 -2.200 2.880) 4.854 3.386 ( 2.322 -0.427 -4.358) 4.956 3.438 ( -1.298 -3.049 -10.034) 10.567 3.684 ( -6.811 5.538 -5.285) 10.246 3.739 ( 2.717 -0.362 -13.748) 14.018 4.018 ( -1.544 0.199 0.991) 1.846 4.082 ( -5.029 -2.091 7.635) 9.379 4.423 ( -0.272 -1.041 4.297) 4.429 4.630 ( 4.551 -6.973 -4.904) 9.663 5.004 ( 1.652 1.995 1.132) 2.827 5.328 ( 1.535 8.721 6.917) 11.236 5.617 ( -2.069 1.718 -2.809) 3.889 5.872 ( 1.520 4.320 -0.952) 4.678 6.011 ( 3.294 1.864 4.865) 6.164 6.314 ( 10.396 -3.162 -6.539) 12.682 10.103 ( -1.687 0.222 -0.000) 1.702 10.841 ( -0.838 -0.279 -0.175) 0.900 10.999 ( -0.061 -1.075 -0.649) 1.258 11.662 ( 0.932 -1.421 -0.377) 1.740 14.563 ( -0.853 0.871 0.194) 1.234 14.649 ( 0.308 0.683 0.830) 1.118 33.458 ( -5.490 5.982 4.421) 9.245 34.037 ( -12.548 15.441 -1.783) 19.976 ======================= Grid point 356 (166/168) ======================= q-point: (-0.18 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -24.312 -0.000 -2.270) 24.417 0.788 ( -14.318 -0.000 15.431) 21.050 1.561 ( -8.249 -0.000 11.070) 13.805 1.649 ( -5.874 -0.000 -15.564) 16.636 1.758 ( -10.732 -0.000 4.708) 11.720 2.018 ( -5.647 -0.000 4.050) 6.949 2.317 ( -2.689 -0.000 -4.821) 5.520 2.330 ( 5.955 0.000 4.927) 7.729 2.492 ( -6.974 -0.000 1.716) 7.182 2.761 ( 3.413 0.000 1.662) 3.796 2.819 ( 5.119 0.000 -3.714) 6.325 3.050 ( 4.651 0.000 6.017) 7.605 3.237 ( 6.293 0.000 -2.942) 6.947 3.249 ( 1.461 0.000 0.055) 1.462 3.408 ( 2.467 0.000 2.552) 3.550 3.432 ( -2.809 -0.000 -14.686) 14.952 3.739 ( -0.139 -0.000 -14.249) 14.250 3.911 ( 2.526 0.000 0.116) 2.529 3.981 ( -2.374 -0.000 -2.845) 3.706 4.098 ( -5.637 -0.000 5.599) 7.945 4.336 ( -0.458 -0.000 -0.457) 0.647 4.414 ( -0.882 -0.000 5.365) 5.437 5.044 ( 3.199 0.000 0.882) 3.318 5.602 ( 9.666 0.000 8.960) 13.179 5.818 ( 1.883 0.000 -7.763) 7.988 5.875 ( -1.354 -0.000 0.043) 1.354 5.999 ( -0.921 -0.000 -0.022) 0.921 6.061 ( 2.949 0.000 2.037) 3.584 10.119 ( -1.086 -0.000 -0.343) 1.139 10.838 ( -1.097 -0.000 -0.485) 1.199 10.967 ( -0.946 -0.000 -0.023) 0.947 11.620 ( 0.105 0.000 -0.004) 0.105 14.593 ( -0.826 -0.000 0.409) 0.921 14.666 ( 0.505 0.000 1.571) 1.650 33.587 ( -6.240 -0.000 6.832) 9.253 34.467 ( -6.938 -0.000 -9.624) 11.864 ======================= Grid point 357 (167/168) ======================= q-point: (-0.09 -0.18 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 303 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( -0.839 -13.205 13.674) 19.027 0.972 ( -8.059 -18.015 13.533) 23.930 1.613 ( -4.424 -4.568 -13.038) 14.506 1.662 ( -5.273 -12.467 5.945) 14.784 1.722 ( -10.854 -2.821 7.578) 13.535 2.030 ( -5.639 -5.864 1.993) 8.376 2.239 ( -2.198 2.616 -2.031) 3.975 2.484 ( 0.809 -7.486 5.559) 9.359 2.546 ( -0.722 -8.250 -2.538) 8.662 2.788 ( 1.968 -1.310 0.522) 2.421 2.838 ( 2.390 -0.728 -1.931) 3.158 3.057 ( 0.749 2.006 -0.136) 2.145 3.207 ( -4.648 2.413 5.201) 7.381 3.304 ( 2.455 0.320 -4.073) 4.766 3.335 ( 2.584 -1.155 -8.533) 8.990 3.422 ( 1.162 1.448 -0.458) 1.912 3.667 ( 0.248 1.382 -12.901) 12.977 3.798 ( -0.298 7.281 -3.620) 8.137 4.005 ( -1.611 -1.259 0.749) 2.177 4.091 ( -1.582 0.618 8.066) 8.242 4.419 ( -1.011 -1.070 3.137) 3.466 4.469 ( 1.592 -9.789 -4.151) 10.752 5.056 ( 2.420 1.356 0.931) 2.926 5.542 ( -8.171 10.164 -3.660) 13.545 5.653 ( 8.000 4.641 7.358) 11.818 5.938 ( 0.481 2.144 -1.752) 2.810 6.084 ( 3.571 0.715 7.049) 7.934 6.206 ( 9.407 -12.804 -7.023) 17.371 10.100 ( -1.500 0.682 -0.378) 1.690 10.829 ( -0.933 -0.147 -0.194) 0.964 10.973 ( -0.331 -1.187 -0.420) 1.302 11.637 ( 0.524 -1.554 -0.387) 1.685 14.575 ( -1.090 1.033 0.121) 1.506 14.668 ( -0.075 0.695 1.116) 1.317 33.554 ( -1.304 4.353 8.615) 9.740 34.206 ( -13.447 13.967 -5.862) 20.255 ======================= Grid point 368 (168/168) ======================= q-point: (-0.09 -0.09 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 0.00e+00 0.00e+00 1.35e-03 1.35e-03 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 16.394 0.000 26.921) 31.519 0.775 ( -8.806 -0.000 21.034) 22.803 1.447 ( -2.051 -0.000 -17.546) 17.665 1.539 ( -13.603 -0.000 22.718) 26.479 1.643 ( -6.621 -0.000 -3.882) 7.675 1.965 ( -1.976 -0.000 -0.694) 2.095 2.303 ( 3.321 0.000 2.925) 4.426 2.393 ( -6.410 -0.000 6.130) 8.869 2.451 ( 4.610 0.000 -2.248) 5.129 2.766 ( -0.207 -0.000 -7.820) 7.823 2.835 ( 1.877 0.000 -4.623) 4.989 3.023 ( -6.922 -0.000 -11.905) 13.771 3.202 ( -5.294 -0.000 8.795) 10.266 3.314 ( 6.207 0.000 -0.941) 6.278 3.378 ( 4.806 0.000 -4.790) 6.786 3.433 ( -1.397 -0.000 1.386) 1.968 3.644 ( 1.649 0.000 -9.605) 9.746 3.905 ( -3.283 -0.000 -4.834) 5.844 3.945 ( 1.941 0.000 -0.020) 1.941 4.127 ( 1.258 0.000 6.148) 6.276 4.325 ( -0.497 -0.000 -0.366) 0.617 4.422 ( -2.924 -0.000 3.649) 4.676 5.089 ( 1.981 0.000 0.571) 2.062 5.503 ( -11.839 -0.000 -8.032) 14.306 5.859 ( -0.822 -0.000 0.028) 0.823 5.988 ( -0.582 -0.000 -0.040) 0.583 6.058 ( 21.630 0.000 2.748) 21.804 6.144 ( 1.429 0.000 7.671) 7.803 10.095 ( -1.415 -0.000 -0.926) 1.692 10.822 ( -0.564 -0.000 0.071) 0.569 10.956 ( -0.545 -0.000 -0.013) 0.545 11.621 ( 0.057 0.000 -0.009) 0.058 14.579 ( -0.785 -0.000 -0.139) 0.797 14.674 ( -1.438 -0.000 0.450) 1.507 33.658 ( 5.684 0.000 9.200) 10.814 34.225 ( -12.960 -0.000 -8.734) 15.628 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21780 10.0 85.845 81.801 119.782 -0.000 8.736 0.000 3/21780 20.0 20.187 25.912 26.518 -0.000 -1.026 0.000 3/21780 30.0 8.833 12.159 11.008 -0.000 -0.699 0.000 3/21780 40.0 5.393 7.663 6.616 -0.000 -0.465 0.000 3/21780 50.0 3.864 5.617 4.741 -0.000 -0.344 0.000 3/21780 60.0 3.022 4.470 3.721 -0.000 -0.272 0.000 3/21780 70.0 2.493 3.736 3.080 -0.000 -0.224 0.000 3/21780 80.0 2.129 3.222 2.636 -0.000 -0.191 0.000 3/21780 90.0 1.862 2.840 2.309 -0.000 -0.166 0.000 3/21780 100.0 1.658 2.542 2.057 -0.000 -0.147 0.000 3/21780 110.0 1.496 2.303 1.856 -0.000 -0.132 0.000 3/21780 120.0 1.363 2.107 1.692 -0.000 -0.120 0.000 3/21780 130.0 1.253 1.942 1.556 -0.000 -0.110 0.000 3/21780 140.0 1.160 1.801 1.440 -0.000 -0.101 0.000 3/21780 150.0 1.080 1.680 1.340 -0.000 -0.094 0.000 3/21780 160.0 1.011 1.574 1.254 -0.000 -0.088 0.000 3/21780 170.0 0.950 1.481 1.178 -0.000 -0.082 0.000 3/21780 180.0 0.896 1.398 1.111 -0.000 -0.077 0.000 3/21780 190.0 0.848 1.325 1.051 -0.000 -0.073 0.000 3/21780 200.0 0.805 1.258 0.998 -0.000 -0.069 0.000 3/21780 210.0 0.766 1.198 0.949 -0.000 -0.066 0.000 3/21780 220.0 0.731 1.144 0.905 -0.000 -0.063 0.000 3/21780 230.0 0.699 1.094 0.865 -0.000 -0.060 0.000 3/21780 240.0 0.670 1.049 0.829 -0.000 -0.057 0.000 3/21780 250.0 0.643 1.007 0.795 -0.000 -0.055 0.000 3/21780 260.0 0.618 0.968 0.764 -0.000 -0.053 0.000 3/21780 270.0 0.595 0.932 0.736 -0.000 -0.051 0.000 3/21780 280.0 0.574 0.899 0.709 -0.000 -0.049 0.000 3/21780 290.0 0.554 0.868 0.685 -0.000 -0.047 0.000 3/21780 300.0 0.535 0.840 0.662 -0.000 -0.046 0.000 3/21780 310.0 0.518 0.813 0.640 -0.000 -0.044 0.000 3/21780 320.0 0.502 0.787 0.620 -0.000 -0.043 0.000 3/21780 330.0 0.487 0.764 0.601 -0.000 -0.041 0.000 3/21780 340.0 0.473 0.742 0.583 -0.000 -0.040 0.000 3/21780 350.0 0.459 0.721 0.567 -0.000 -0.039 0.000 3/21780 360.0 0.446 0.701 0.551 -0.000 -0.038 0.000 3/21780 370.0 0.434 0.682 0.536 -0.000 -0.037 0.000 3/21780 380.0 0.423 0.664 0.522 -0.000 -0.036 0.000 3/21780 390.0 0.412 0.647 0.508 -0.000 -0.035 0.000 3/21780 400.0 0.402 0.631 0.496 -0.000 -0.034 0.000 3/21780 410.0 0.392 0.616 0.484 -0.000 -0.033 0.000 3/21780 420.0 0.383 0.602 0.472 -0.000 -0.032 0.000 3/21780 430.0 0.374 0.588 0.461 -0.000 -0.031 0.000 3/21780 440.0 0.366 0.575 0.451 -0.000 -0.031 0.000 3/21780 450.0 0.358 0.562 0.441 -0.000 -0.030 0.000 3/21780 460.0 0.350 0.550 0.431 -0.000 -0.029 0.000 3/21780 470.0 0.343 0.539 0.422 -0.000 -0.029 0.000 3/21780 480.0 0.336 0.528 0.413 -0.000 -0.028 0.000 3/21780 490.0 0.329 0.517 0.405 -0.000 -0.028 0.000 3/21780 500.0 0.323 0.507 0.397 -0.000 -0.027 0.000 3/21780 510.0 0.316 0.497 0.389 -0.000 -0.026 0.000 3/21780 520.0 0.311 0.488 0.381 -0.000 -0.026 0.000 3/21780 530.0 0.305 0.479 0.374 -0.000 -0.025 0.000 3/21780 540.0 0.299 0.470 0.367 -0.000 -0.025 0.000 3/21780 550.0 0.294 0.462 0.361 -0.000 -0.025 0.000 3/21780 560.0 0.289 0.454 0.354 -0.000 -0.024 0.000 3/21780 570.0 0.284 0.446 0.348 -0.000 -0.024 0.000 3/21780 580.0 0.279 0.438 0.342 -0.000 -0.023 0.000 3/21780 590.0 0.274 0.431 0.336 -0.000 -0.023 0.000 3/21780 600.0 0.270 0.424 0.331 -0.000 -0.022 0.000 3/21780 610.0 0.266 0.417 0.325 -0.000 -0.022 0.000 3/21780 620.0 0.261 0.411 0.320 -0.000 -0.022 0.000 3/21780 630.0 0.257 0.405 0.315 -0.000 -0.021 0.000 3/21780 640.0 0.253 0.398 0.310 -0.000 -0.021 0.000 3/21780 650.0 0.250 0.392 0.305 -0.000 -0.021 0.000 3/21780 660.0 0.246 0.387 0.301 -0.000 -0.020 0.000 3/21780 670.0 0.242 0.381 0.296 -0.000 -0.020 0.000 3/21780 680.0 0.239 0.376 0.292 -0.000 -0.020 0.000 3/21780 690.0 0.235 0.370 0.288 -0.000 -0.019 0.000 3/21780 700.0 0.232 0.365 0.283 -0.000 -0.019 0.000 3/21780 710.0 0.229 0.360 0.280 -0.000 -0.019 0.000 3/21780 720.0 0.226 0.355 0.276 -0.000 -0.019 0.000 3/21780 730.0 0.223 0.351 0.272 -0.000 -0.018 0.000 3/21780 740.0 0.220 0.346 0.268 -0.000 -0.018 0.000 3/21780 750.0 0.217 0.341 0.265 -0.000 -0.018 0.000 3/21780 760.0 0.214 0.337 0.261 -0.000 -0.018 0.000 3/21780 770.0 0.212 0.333 0.258 -0.000 -0.017 0.000 3/21780 780.0 0.209 0.329 0.255 -0.000 -0.017 0.000 3/21780 790.0 0.206 0.325 0.251 -0.000 -0.017 0.000 3/21780 800.0 0.204 0.321 0.248 -0.000 -0.017 0.000 3/21780 810.0 0.201 0.317 0.245 -0.000 -0.017 0.000 3/21780 820.0 0.199 0.313 0.242 -0.000 -0.016 0.000 3/21780 830.0 0.197 0.309 0.239 -0.000 -0.016 0.000 3/21780 840.0 0.194 0.306 0.236 -0.000 -0.016 0.000 3/21780 850.0 0.192 0.302 0.234 -0.000 -0.016 0.000 3/21780 860.0 0.190 0.299 0.231 -0.000 -0.016 0.000 3/21780 870.0 0.188 0.296 0.228 -0.000 -0.015 0.000 3/21780 880.0 0.186 0.292 0.226 -0.000 -0.015 0.000 3/21780 890.0 0.184 0.289 0.223 -0.000 -0.015 0.000 3/21780 900.0 0.182 0.286 0.221 -0.000 -0.015 0.000 3/21780 910.0 0.180 0.283 0.218 -0.000 -0.015 0.000 3/21780 920.0 0.178 0.280 0.216 -0.000 -0.014 0.000 3/21780 930.0 0.176 0.277 0.214 -0.000 -0.014 0.000 3/21780 940.0 0.174 0.274 0.211 -0.000 -0.014 0.000 3/21780 950.0 0.173 0.272 0.209 -0.000 -0.014 0.000 3/21780 960.0 0.171 0.269 0.207 -0.000 -0.014 0.000 3/21780 970.0 0.169 0.266 0.205 -0.000 -0.014 0.000 3/21780 980.0 0.168 0.264 0.203 -0.000 -0.014 0.000 3/21780 990.0 0.166 0.261 0.201 -0.000 -0.013 0.000 3/21780 1000.0 0.164 0.259 0.199 -0.000 -0.013 0.000 3/21780 Thermal conductivity related properties were written into "kappa-m11115.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:50:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|